221 results on '"Peter Rez"'
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2. Erratum: Damage-free vibrational spectroscopy of biological materials in the electron microscope
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Peter Rez, Toshihiro Aoki, Katia March, Dvir Gur, Ondrej L. Krivanek, Niklas Dellby, Tracy C. Lovejoy, Sharon G. Wolf, and Hagai Cohen
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Science - Abstract
Nature Communications 7, Article number: 10945 (2016); Published: 10 March 2016; Updated: 4 May 2016 The author Hagai Cohen is incorrectly omitted from the list of corresponding authors. The corresponding authors are Peter Rez and Hagai Cohen. The correct information for correspondence is: ‘Correspondence and requests for materials should be addressed to P.
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- 2016
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3. Calculations of the Evolution of the Ca L23 Fine Structure in Amorphous Calcium Carbonate
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Keren Kahil, Paolo Raiteri, Julian D. Gale, and Peter Rez
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Materials Chemistry ,Physical and Theoretical Chemistry ,Surfaces, Coatings and Films - Published
- 2022
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4. Protein secondary structure signatures from energy loss spectra recorded in the electron microscope
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Katia March, Dewight Williams, Chloe D. Truong, Kartik Venkatraman, Peter Rez, and Po-Lin Chiu
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Histology ,Materials science ,Infrared ,Infrared spectroscopy ,Electrons ,02 engineering and technology ,Molecular physics ,Protein Structure, Secondary ,Pathology and Forensic Medicine ,law.invention ,03 medical and health sciences ,law ,Spectroscopy, Fourier Transform Infrared ,Fourier transform infrared spectroscopy ,Spectroscopy ,Protein secondary structure ,030304 developmental biology ,0303 health sciences ,biology ,Resolution (electron density) ,Proteins ,Bacteriorhodopsin ,021001 nanoscience & nanotechnology ,biology.protein ,Electron microscope ,0210 nano-technology - Abstract
Infrared spectroscopy is a powerful technique for characterising protein structure. It is now possible to record energy losses corresponding to the infrared region in the electron microscope and to avoid damage by positioning the probe in the region adjacent to the structure being studied. Spectra from bacteriorhodopsin, a protein that is predominately a α helix, and OmpF porin, a protein that is mainly β sheet show significant differences over a spectral range from ∼0.1 to 0.25 eV (∼1000 to 1800 cmProteins are long linear molecular chains that when folded into complex three-dimensional shapes enable them to perform their biological functions. Infrared spectroscopy is a powerful technique for characterising protein folds, especially the proportions of helices and sheets that are significant building blocks in the overall structure. Traditionally, it was only possible to record infrared spectra from large amounts of material. In this paper, we show that it is possible to record the equivalent of the infrared spectrum from regions much smaller than a cell using a high-performance spectrometer coupled to electron microscopy. One great advantage is that the spectroscopic measurements can be combined with the standard high-resolution imaging and other characterisation techniques available in the electron microscope. We believe expansion of this method will impact diseases such as Alzheimer's, which are believed to be the results of an incorrect folding process. Our technique, where we combine infrared spectroscopic measurements with electron microscopy, could be invaluable in characterising the critical early stages of protein misfolding and/or assembly. This information will be invaluable in disease prognosis and the search for potential therapies.
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- 2021
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5. A load of old wind
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Peter Rez
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General Physics and Astronomy - Abstract
A reply to Amory Lovins’ letter about wind energy and James McKenzie’s Transactions column on wind-powered ships.
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- 2023
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6. Probing Biological Materials by Vibrational Analysis in the Electron Microscope
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Ondrej L Krivanek, Benedikt Haas, Zdravko Kochovski, Johannes Müller, Christoph Koch, Katia March, Alice Dohnalkova, Niklas Dellby, Michael T Hotz, Ben Plotkin-Swing, Tracy C Lovejoy, and Peter Rez
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Instrumentation - Published
- 2022
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7. Bouncing Around Between Real and Reciprocal Space with Electrons and X-rays, an Adventure with John Spence
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Peter Rez
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Instrumentation - Published
- 2022
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8. Localized phonon densities of states at grain boundaries in silicon
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Peter Rez, Tara Boland, Christian Elsässer, Arunima Singh, and Publica
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Condensed Matter::Materials Science ,Condensed Matter - Materials Science ,localized phonon ,DFT (density functional theory) ,grain boundery ,Materials Science (cond-mat.mtrl-sci) ,FOS: Physical sciences ,EELS (electron energy-loss spectroscopy) ,Instrumentation ,MD (molecular dynamics) - Abstract
Since it is now possible to record vibrational spectra at nanometer scales in the electron microscope it is of interest to explore whether defects such as dislocations or grain boundaries will result in measurable changes of the spectra. Phonon densities of states were calculated for a set of high angle grain boundaries in silicon. Since these boundaries are modeled by supercells with up to 160 atoms, the density of states was calculated by taking the Fourier transform of the velocity-velocity autocorrelation function from molecular dynamics simulations based on new supercells doubled in each direction. In select cases the results were checked on the original supercells with fewer atoms by comparison with the densities of states obtained by diagonalizing the dynamical matrix calculated using density functional theory. Near the core of the grain boundary the height of the optic phonon peak in the density of states at 60 meV was suppressed relative to features due to acoustic phonons that are largely unchanged relative to their bulk values. This can be attributed to the variation in the strength of bonds in grain boundary core regions where there is a range of bond lengths. It also means that changes in the density of states intrinsic to grain boundaries are unlikely to affect thermal conductivity at ambient temperatures, which are most likely dominated by the scattering of acoustic phonons.
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- 2022
9. Toward Compositional Contrast by Cryo-STEM
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Peter Rez, Lothar Houben, Michael Elbaum, Shahar Seifer, and Sharon G. Wolf
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Diffraction ,Microscopy, Electron, Scanning Transmission ,Water window ,Materials science ,business.industry ,Macromolecular Substances ,Resolution (electron density) ,Cryoelectron Microscopy ,General Medicine ,General Chemistry ,Dark field microscopy ,law.invention ,Biological specimen ,Optics ,law ,Microscopy ,Electron beam processing ,Electron microscope ,business - Abstract
Electron microscopy (EM) is the most versatile tool for the study of matter at scales ranging from subatomic to visible. The high vacuum environment and the charged irradiation require careful stabilization of many specimens of interest. Biological samples are particularly sensitive due to their composition of light elements suspended in an aqueous medium. Early investigators developed techniques of embedding and staining with heavy metal salts for contrast enhancement. Indeed, the Nobel Prize in 1974 recognized Claude, de Duve, and Palade for establishment of the field of cell biology, largely due to their developments in separation and preservation of cellular components for electron microscopy. A decade later, cryogenic fixation was introduced. Vitrification of the water avoids the need for dehydration and provides an ideal matrix in which the organic macromolecules are suspended; the specimen represents a native state, suddenly frozen in time at temperatures below -150 °C. The low temperature maintains a low vapor pressure for the electron microscope, and the amorphous nature of the medium avoids diffraction contrast from crystalline ice. Such samples are extremely delicate, however, and cryo-EM imaging is a race for information in the face of ongoing damage by electron irradiation. Through this journey, cryo-EM enhanced the resolution scale from membranes to molecules and most recently to atoms. Cryo-EM pioneers, Dubochet, Frank, and Henderson, were awarded the Nobel Prize in 2017 for high resolution structure determination of biological macromolecules.A relatively untapped feature of cryo-EM is its preservation of composition. Nothing is added and nothing removed. Analytical spectroscopies based on electron energy loss or X-ray emission can be applied, but the very small interaction cross sections conflict with the weak exposures required to preserve sample integrity. To what extent can we interpret quantitatively the pixel intensities in images themselves? Conventional cryo-transmission electron microscopy (TEM) is limited in this respect, due to the strong dependence of the contrast transfer on defocus and the absence of contrast at low spatial frequencies.Inspiration comes largely from a different modality for cryo-tomography, using soft X-rays. Contrast depends on the difference in atomic absorption between carbon and oxygen in a region of the spectrum between their core level ionization energies, the so-called water window. Three dimensional (3D) reconstruction provides a map of the local X-ray absorption coefficient. The quantitative contrast enables the visualization of organic materials without stain and measurement of their concentration quantitatively. We asked, what aspects of the quantitative contrast might be transferred to cryo-electron microscopy?Compositional contrast is accessible in scanning transmission EM (STEM) via incoherent elastic scattering, which is sensitive to the atomic number Z. STEM can be regarded as a high energy, low angle diffraction measurement performed pixel by pixel with a weakly convergent beam. When coherent diffraction effects are absent, that is, in amorphous materials, a dark field signal measures quantitatively the flux scattered from the specimen integrated over the detector area. Learning to interpret these signals will open a new dimension in cryo-EM. This Account describes our efforts so far to introduce STEM for cryo-EM and tomography of biological specimens. We conclude with some thoughts on further developments.
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- 2021
10. Vibrational spectroscopy at atomic resolution with electron impact scattering
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Peter Rez, Barnaby D.A. Levin, Peter A. Crozier, Kartik Venkatraman, and Katia March
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Elastic scattering ,Physics ,Condensed Matter - Materials Science ,Scattering ,Materials Science (cond-mat.mtrl-sci) ,FOS: Physical sciences ,General Physics and Astronomy ,Electron ,01 natural sciences ,Molecular physics ,010305 fluids & plasmas ,Amorphous solid ,Dipole ,Molecular vibration ,0103 physical sciences ,Scanning transmission electron microscopy ,Physics::Atomic and Molecular Clusters ,010306 general physics ,Spectroscopy - Abstract
Atomic vibrations control all thermally activated processes in materials including diffusion, heat transport, phase transformations, and surface chemistry. Recent developments in monochromated, aberration-corrected scanning transmission electron microscopy (STEM) have enabled nanoscale probing of vibrational modes using a focused electron beam. However, to date, no experimental atomic resolution vibrational spectroscopy has been reported. Here we demonstrate atomic resolution by exploiting localized impact excitations of vibrational modes in materials. We show that the impact signal yields high spatial resolution in both covalent and ionic materials, and atomic resolution is available from both optical and acoustic vibrational modes. We achieve a spatial resolution of better than 2 {\AA} which is an order of magnitude improvement compared to previous work. Our approach represents an important technical advance that can be used to provide new insights into the relationship between the thermal, elastic and kinetic properties of materials and atomic structural heterogeneities., Comment: 29 pages main text, 9 figures
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- 2019
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11. Corrigendum to Coherent and Incoherent Imaging of Biological Specimens with Electrons and X-rays [Ultramicroscopy 231 (2021) 113301]
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Peter Rez
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Instrumentation ,Atomic and Molecular Physics, and Optics ,Electronic, Optical and Magnetic Materials - Published
- 2022
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12. Cellular pathways of calcium transport and concentration toward mineral formation in sea urchin larvae
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Peter Rez, Steve Weiner, Lia Addadi, Keren Kahil, Neta Varsano, Eva Pereiro, and Andrea Sorrentino
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Spicule ,chemistry.chemical_element ,Vacuole ,Calcium ,Models, Biological ,Mesoderm ,chemistry.chemical_compound ,Sponge spicule ,biology.animal ,Animals ,Sea urchin ,Minerals ,Multidisciplinary ,biology ,Vesicle ,Amorphous calcium carbonate ,X-Ray Absorption Spectroscopy ,chemistry ,Larva ,Sea Urchins ,Physical Sciences ,Biophysics ,Seawater ,Biomineralization ,Signal Transduction - Abstract
Sea urchin larvae have an endoskeleton consisting of two calcitic spicules. The primary mesenchyme cells (PMCs) are the cells that are responsible for spicule formation. PMCs endocytose sea water from the larval internal body cavity into a network of vacuoles and vesicles, where calcium ions are concentrated until they precipitate in the form of amorphous calcium carbonate (ACC). The mineral is subsequently transferred to the syncytium, where the spicule forms. Using cryo-soft X-ray microscopy (cryo-SXM) we imaged intra-cellular calcium-containing particles in the PMCs and acquired Ca-L2,3X-ray absorption near edge spectra (XANES) of these Ca-particles. Using the pre-peak/main peak (L2’/ L2) intensity ratio, which reflects the atomic order in the first Ca coordination shell, we determined the state of the calcium ions in each particle. The concentration of Ca in each of the particles was also determined by the integrated area in the main Ca absorption peak. We observed about 700 Ca-particles with order parameters, L2’/ L2, ranging from solution to hydrated and anhydrous ACC, and with concentrations ranging between 1-15 M. We conclude that in each cell the calcium ions exist in a continuum of states. This implies that most, but not all water, is expelled from the particles. This cellular process of calcium concentration may represent a widespread pathway in mineralizing organisms.SignificanceOrganisms form mineralized skeletons, many of which are composed of calcium salts. Marine organisms extract calcium ions from sea water. One of the main unresolved issues is how organisms concentrate calcium by more than 3 orders of magnitude, to achieve mineral deposition in their skeleton. Here we determine the calcium state in each of the calcium-containing vesicles inside the spicule-building cells of sea urchin larvae. We show that within one cell there is a wide range of concentrations and states from solution to solid. We hypothesize that calcium concentration increases gradually in each vesicle, starting from sea water levels and until mineral is deposited. This model might well be relevant to other phyla, thus advancing the understanding of biomineralization processes.
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- 2020
13. Lattice resolution of vibrational modes in the electron microscope
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Arunima K. Singh and Peter Rez
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010302 applied physics ,Physics ,Phonon scattering ,Phonon ,business.industry ,02 engineering and technology ,Electron ,021001 nanoscience & nanotechnology ,01 natural sciences ,Atomic and Molecular Physics, and Optics ,Umklapp scattering ,Electronic, Optical and Magnetic Materials ,Brillouin zone ,Optics ,Electron diffraction ,Lattice (order) ,Dispersion relation ,0103 physical sciences ,Condensed Matter::Strongly Correlated Electrons ,0210 nano-technology ,business ,Instrumentation - Abstract
The combination of aberration correction and ultra high energy resolution with monochromators has made it possible to record images showing lattice resolution in phonon modes, both with a displaced collection aperture and more recently with an on –axis collection aperture. In practice the objective aperture has to include Bragg reflections that correspond to the observed lattice image spacings, and the specimen has to be sufficiently thick for adequate phonon scattered intensity. There has been controversy as to whether the images with the on axis detector are really a consequence of lattice resolution in a phonon mode or just a transfer of information from an image that was formed by elastically scattered electrons. We present results of calculations based on a theory that includes the possibility of dynamical electron diffraction for both incident and scattered electrons and the full phonon dispersion relation. We show that Umklapp scattering from the second Brillouin Zone back to the first Brillouin Zone is necessary for lattice resolution with the on axis detector and that it is therefore reasonable to attribute the lattice resolution to the phonon scattering.
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- 2020
14. Coherent and incoherent imaging of biological specimens with electrons and X-rays
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Peter Rez
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Materials science ,Astrophysics::High Energy Astrophysical Phenomena ,Electrons ,02 engineering and technology ,Electron ,Inelastic scattering ,01 natural sciences ,Molecular physics ,0103 physical sciences ,Radiation damage ,Scattering, Radiation ,Microscopy, Phase-Contrast ,Absorption (electromagnetic radiation) ,Instrumentation ,010302 applied physics ,Elastic scattering ,Water window ,X-Rays ,Water ,021001 nanoscience & nanotechnology ,Atomic and Molecular Physics, and Optics ,Electronic, Optical and Magnetic Materials ,Radiography ,K-edge ,0210 nano-technology ,Electron scattering - Abstract
Since radiation damage is proportional to fluence, radiation damage limits the spatial resolution of biological structures determined by either X-ray or electron scattering. If only elastic scattering is used for structural information then electrons are superior as the ratio of elastic to inelastic scattering is higher than for X-rays. For soft X-rays in the water window below the O K edge photoabsorption contrast might be better than elastic scattering for distinguishing different biological materials. Phase contrast elastic scattering is most effective in the hard X-ray region up to about 10 keV. Radiation damage limits spatial resolution for most X-ray imaging to 10-20 nm. Local molar concentrations of Na,K and Ca ions can be determined at somewhat lower spatial resolutions using relevant absorption edges. At higher energies resolution res is only limited by the fluence available from the light source, since energy deposition is small.
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- 2021
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15. Hydrogen as an aviation fuel
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Peter Rez
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Hydrogen ,chemistry ,Waste management ,engineering ,General Physics and Astronomy ,chemistry.chemical_element ,Aviation fuel ,Environmental science ,engineering.material - Published
- 2021
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16. Sustainable Energy for University Science Majors: Developing Guidelines for Educators
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Elon Langbeheim and Peter Rez
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Sustainable development ,Engineering ,business.industry ,020209 energy ,Energy (esotericism) ,05 social sciences ,Place-based education ,050301 education ,02 engineering and technology ,Energy engineering ,Education ,Scientific evidence ,Renewable energy ,Engineering management ,0202 electrical engineering, electronic engineering, information engineering ,Mathematics education ,Alternative energy ,General Earth and Planetary Sciences ,Environmental impact assessment ,business ,0503 education - Abstract
This paper describes the basic tenets of a sustainable energy course for university science majors. First, it outlines the three core components of the course: 1. The scientific evidence for the connection between climate change and energy usage; 2. An analysis of the capacity and environmental impact of various renewable and traditional energy resources; 3. An overview of alternative pathways for the main energy usage in society—heating/cooling, transportation, and manufacturing. The course aims not only to present factual knowledge, but also to develop a critical approach for weighing between alternative energy solutions based on quantitative analyses. To meet these objectives, we suggest pedagogical considerations for organizing the content of the course, supporting student learning and raising student interest. For example, quantitative problems that can be investigated in the course are discussed as well as place-based examples of energy production from the local environment that can increas...
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- 2017
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17. What Are the Applications of meV EELS?
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Katia March, Peter Rez, and Kartik Venkatraman
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Materials science ,Instrumentation - Published
- 2020
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18. Impact of Aliovalent Alkaline-Earth Metal Solutes on Ceria Grain Boundaries: A Density Functional Theory Study
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Tara Boland, Peter Rez, Peter A. Crozier, and Arunima K. Singh
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010302 applied physics ,Condensed Matter - Materials Science ,Alkaline earth metal ,Materials science ,Polymers and Plastics ,Band gap ,Doping ,Metals and Alloys ,Ionic bonding ,Materials Science (cond-mat.mtrl-sci) ,FOS: Physical sciences ,02 engineering and technology ,021001 nanoscience & nanotechnology ,01 natural sciences ,Electronic, Optical and Magnetic Materials ,Metal ,Chemical physics ,visual_art ,0103 physical sciences ,Ceramics and Composites ,visual_art.visual_art_medium ,Grain boundary ,Density functional theory ,Crystallite ,0210 nano-technology - Abstract
Ceria has proven to be an excellent ion-transport and ion-exchange material when used in polycrystalline form and with a high-concentration of aliovalent doped cations. Despite its widespread application, the impact of atomic-scale defects in this material are scarcely studied and poorly understood. In this article, using first-principles simulations, we provide a fundamental understanding of the atomic-structure, thermodynamic stability and electronic properties of undoped grain-boundaries (GBs) and alkaline-earth metal (AEM) doped GBs in ceria. Using density-functional theory simulations, with a GGA+U functional, we find the $\Sigma$3 (111)/[$\bar{1}$01] GB is thermodynamically more stable than the $\Sigma$3 (121)/[$\bar{1}$01] GB due to the larger atomic coherency in the $\Sigma$3 (111)/[$\bar{1}$01] GB plane. We dope the GBs with $\sim$20% [M]$_{GB}$ (M=Be, Mg, Ca, Sr, and Ba) and find that the GB energies have a parabolic dependence on the size of solutes, the interfacial strain and the packing density of the GB. We see a stabilization of the GBs upon Ca, Sr and Ba doping whereas Be and Mg render them thermodynamically unstable. The electronic density of states reveal that no defect states are present in or above the band gap of the AEM doped ceria, which is highly conducive to maintain low electronic mobility in this ionic conductor. The electronic properties, unlike the thermodynamic stability, exhibit complex inter-dependence on the structure and chemistry of the host and the solutes. This work makes advances in the atomic-scale understanding of aliovalent cation doped ceria GBs serving as an anchor to future studies that can focus on understanding and improving ionic-transport., Comment: 23 pages, 4 figures
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- 2020
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19. Erratum: Identification of point defects using high-resolution electron energy loss spectroscopy [Phys. Rev. B 99 , 115312 (2019)]
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Fernando Ponce, Shuo Wang, Katia March, and Peter Rez
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Physics ,Identification (information) ,High resolution electron energy loss spectroscopy ,Crystallographic defect ,Molecular physics - Published
- 2019
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20. Identification of point defects using high-resolution electron energy loss spectroscopy
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Peter Rez, Fernando Ponce, Katia March, and Shuo Wang
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Materials science ,business.industry ,Band gap ,Electron energy loss spectroscopy ,Resolution (electron density) ,High resolution electron energy loss spectroscopy ,02 engineering and technology ,021001 nanoscience & nanotechnology ,01 natural sciences ,Crystallographic defect ,Molecular physics ,Semiconductor ,0103 physical sciences ,Scanning transmission electron microscopy ,Density functional theory ,010306 general physics ,0210 nano-technology ,business - Abstract
Although there are many techniques that can detect bandgap states associated with point defects in the lattice, it is not routinely possible to determine the type of defect at submicron spatial resolution. Here we show that high-resolution electron energy loss spectroscopy (EELS) in a scanning transmission electron microscope can locate and identify point defects with a resolution of about 10 nm in a wide-bandgap BAlN semiconductor. B interstitials, N vacancies, as well as other point defects have been experimentally detected using EELS and have been identified using density functional theory.
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- 2019
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21. Damage-free vibrational spectroscopy of biological materials in the electron microscope
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Tracy C. Lovejoy, Dvir Gur, Toshihiro Aoki, Peter Rez, Ondrej L. Krivanek, Sharon G. Wolf, Katia March, Hagai Cohen, and Niklas Dellby
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0301 basic medicine ,Carps ,Guanine ,Science ,Energy-dispersive X-ray spectroscopy ,General Physics and Astronomy ,Infrared spectroscopy ,Nanotechnology ,02 engineering and technology ,Electron ,Spectroscopy, Electron Energy-Loss ,Molecular physics ,Vibration ,General Biochemistry, Genetics and Molecular Biology ,law.invention ,03 medical and health sciences ,Microscopy, Electron, Transmission ,law ,Microscopy ,Spectroscopy, Fourier Transform Infrared ,Animals ,Electron beam-induced deposition ,High-resolution transmission electron microscopy ,Spectroscopy ,Physics ,Multidisciplinary ,Spectrum Analysis ,General Chemistry ,021001 nanoscience & nanotechnology ,Microscopy, Electron ,030104 developmental biology ,Electron microscope ,Erratum ,0210 nano-technology - Abstract
Vibrational spectroscopy in the electron microscope would be transformative in the study of biological samples, provided that radiation damage could be prevented. However, electron beams typically create high-energy excitations that severely accelerate sample degradation. Here this major difficulty is overcome using an ‘aloof’ electron beam, positioned tens of nanometres away from the sample: high-energy excitations are suppressed, while vibrational modes of energies
- Published
- 2016
22. Energy use by air taxis and drones for parcel delivery, is it practical? Is it sustainable?
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Peter Rez
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Truck ,business.product_category ,Wing ,Photovoltaic system ,Taxis ,Lift (soaring) ,02 engineering and technology ,010402 general chemistry ,021001 nanoscience & nanotechnology ,01 natural sciences ,Automotive engineering ,Energy storage ,Drone ,0104 chemical sciences ,Airplane ,0210 nano-technology ,business - Abstract
Aircraft that take off and land vertically with rotors or horizontal propellers like drones use more energy than conventional aircraft whose lift is provided by wings. Drones with propellers are less efficient than helicopters with large rotors. The poor energy density of batteries compared to hydrocarbon fuels limits the range and endurance of the electrically powered aircraft. Although the ratio of the mass of payload and fuel (or battery) to the total aircraft mass for the proposed Amazon drone is not that different from the same ratio for a Boeing 747, the range and time in the air is very much less. In principle, a conventional aircraft powered by photovoltaic panels covering a wing with a span of 6 m could match the performance of the proposed Amazon drone. Amazon has proposed delivering packages by an electrically powered drone capable of vertical take off and landing. By comparison with helicopters, the energy needed to move a 2.5 kg package is estimated to be more than 130 times the energy used in delivering the same package in a small delivery truck. By comparison, a conventional airplane with the same mass could, in principle, be powered by photovoltaic panels, covering the wings, and it would use an energy equivalent to about 3 times the energy used by a small delivery truck. Based on the performance of existing small helicopters, the analysis shows that an electrically powered air taxi would only be able to make journeys of 10 min or less. Vertical take-off and landing add to energy requirements, and drones using a large number of propellers are less efficient than helicopters. The major limitation, not surprisingly, is the poor energy density of batteries compared to liquid hydrocarbon fuels.
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- 2018
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23. Manipulation of Optical Phonon Polaritons in Patterned SiO2 Thin-Films
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Kartik Venkatraman, Katia March, Peter Rez, Sunny Situ, and Peter A. Crozier
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Materials science ,business.industry ,Phonon ,Polariton ,Optoelectronics ,Thin film ,business ,Instrumentation - Published
- 2019
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24. Theory for High Energy Resolution EELS of Vibrational and Defect States
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Barnaby D.A. Levin, Christian Dwyer, Arunima K. Singh, and Peter Rez
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Materials science ,Atomic physics ,High energy resolution ,Instrumentation - Published
- 2019
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25. Nanoscale Probing of Adsorbates on Pt/CeO2 with Aloof-beam Vibrational Electron Energy-loss Spectroscopy
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Kartik Venkatraman, Peter Rez, Joshua L. Vincent, Katia March, and Peter A. Crozier
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Materials science ,Electron energy loss spectroscopy ,Instrumentation ,Molecular physics ,Nanoscopic scale ,Beam (structure) - Published
- 2019
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26. Phosphorus detection in vitrified bacteria by cryo-STEM annular dark-field analysis
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Michael Elbaum, Peter Rez, and Sharon G. Wolf
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Histology ,Microscope ,Chemistry ,Resolution (electron density) ,Analytical chemistry ,Context (language use) ,Electron ,Dark field microscopy ,Pathology and Forensic Medicine ,law.invention ,law ,Scanning transmission electron microscopy ,Energy filtered transmission electron microscopy ,Electron microscope - Abstract
Summary Bacterial cells often contain dense granules. Among these, polyphosphate bodies (PPBs) store inorganic phosphate for a variety of essential functions. Identification of PPBs has until now been accomplished by analytical methods that required drying or chemically fixing the cells. These methods entail large electron doses that are incompatible with low-dose imaging of cryogenic specimens. We show here that Scanning Transmission Electron Microscopy (STEM) of fully hydrated, intact, vitrified bacteria provides a simple means for mapping of phosphorus-containing dense granules based on quantitative sensitivity of the electron scattering to atomic number. A coarse resolution of the scattering angles distinguishes phosphorus from the abundant lighter atoms: carbon, nitrogen and oxygen. The theoretical basis is similar to Z contrast of materials science. EDX provides a positive identification of phosphorus, but importantly, the method need not involve a more severe electron dose than that required for imaging. The approach should prove useful in general for mapping of heavy elements in cryopreserved specimens when the element identity is known from the biological context. Lay description Biological cells consist primarily of the light elements: hydrogen, carbon, nitrogen, and oxygen. Heavier elements are also present in smaller quantities, e.g., calcium, magnesium, phosphorous, and iron. In certain contexts these may accumulate in specific cellular bodies or granules. While imaging in the electron microscope reveals the morphology, analytical tools are required in order to determine the elemental composition. These tools put severe constraints on sample preservation and are generally incompatible with cryogenically fixed specimens due to excessive irradiation by the electron beam. In this work we analyze phosphate-rich granules in intact, cryogenically-fixed bacteria using scanning transmission electron microscopy (STEM). Focused electrons are scattered to a range of angles that depends on the elements present locally in the specimen. We present both a theoretical basis to configure the microscope for elemental sensitivity and the experimental demonstration. In principle this analytical mapping entails the same electron radiation exposure as that required to form the image. The approach will be generally applicable for mapping of elements whose identity is known from the biological context.
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- 2015
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27. Distortions of the calcite and aragonite atomic structures from interstitial water
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Peter Rez and Sourabh Sinha
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Diffraction ,Calcite ,Aragonite ,Infrared spectroscopy ,engineering.material ,Condensed Matter Physics ,Amorphous calcium carbonate ,Amorphous solid ,Crystallography ,chemistry.chemical_compound ,chemistry ,Chemical physics ,engineering ,Carbonate ,General Materials Science ,Spectroscopy - Abstract
Amorphous calcium carbonate (ACC), as observed by diffraction or infra-red spectroscopy, is especially significant as a precursor in biomineralization. The atomic structure and mechanisms for transformation to the crystalline phases are still unknown. It is conceivable that insertion of water molecules could give rise to distortions that result in the observed diffraction patterns and infrared spectra. We use the VASP density functional theory code to relax model supercells with 24 formula units of CaCO3 where we have inserted up to 5 water molecules, corresponding to 3.75 wt%. The main effect is tilting of the carbonate planes, which can be as high as 50°. This leads to a range of Ca–O distances that are consistent with the observed changes in the IR spectra in ACC. The spread in cation–cation distances is not enough to destroy coherent diffraction from regions 70 nm across, and so does not explain amorphous diffraction profiles.
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- 2015
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28. The Simple Physics of Energy Use
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Peter Rez and Peter Rez
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- Renewable energy sources, Energy policy--Social aspects, Power (Mechanics), Power resources, Physics, Energy consumption
- Abstract
As a society we use energy for climate control and lighting in buildings, moving people and goods form one place to another and making things. Our standard of living depends on transforming energy locked up in fossil fuels, atomic nuclei or provided free of charge by the sun and wind into a form that we can use. This book uses simple classical physics (mechanics, thermodynamics and electromagnetism) to quantitatively review sources of energy and how we use them. It addresses key questions such as: Can renewables such as solar and wind take over from fossil fuels? How much will their use reduce CO2 emissions? To see what is important, numbers are used to estimate how big or small things are, but the maths is kept at the level of simple algebra and trigonometry. The aim is to give an overview of the big picture, to only worry about what really makes a difference. There's also growing concern that CO2 emissions from burning fossil fuels will change climate irreversibly in harmful ways.
- Published
- 2017
29. Vibrational electron energy loss spectroscopy in truncated dielectric slabs
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Javier Aizpurua, Peter Rez, Rainer Hillenbrand, Andrea Konečná, Katia March, Kartik Venkatraman, Peter A. Crozier, Ministerio de Economía, Industria y Competitividad (España), Thermo Fisher Scientific, Arizona State University, and National Science Foundation (US)
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Materials science ,Silicon ,Phonon ,Electron energy loss spectroscopy ,chemistry.chemical_element ,Physics::Optics ,02 engineering and technology ,Dielectric ,Electron ,021001 nanoscience & nanotechnology ,01 natural sciences ,Molecular physics ,chemistry ,0103 physical sciences ,Scanning transmission electron microscopy ,Cathode ray ,Spatial dependence ,010306 general physics ,0210 nano-technology - Abstract
Specially designed instrumentation for electron energy loss spectroscopy (EELS) in a scanning transmission electron microscope makes it possible to probe very low-loss excitations in matter with a focused electron beam. Here we study the nanoscale interaction of fast electrons with optical phonon modes in silica. In particular, we analyze the spatial dependence of EEL spectra in two geometrical arrangements: a free-standing truncated slab of silica and a slab with a junction between silica and silicon. In both cases, we identify different loss channels, involving polaritonic and nonpolaritonic contributions to the total electron energy loss, and we obtain the corresponding energy-filtered maps. Furthermore, we present a comparison of the theoretical simulations for a silica-silicon junction with experimental results, and we discuss the spatial resolution attainable from the energy-filtered map considering optical phonon excitations in a conventional experimental arrangement., A.K., R.H., and J.A. acknowledge the support of the Spanish Ministry of Economy, Industry and Competitiveness (national projects MAT2015-65525-R, FIS2016-80174-P, and project MDM-2016-0618 of the Maria de Maetzu Units of Excellence Programme). A.K. further acknowledges Thermo Fisher Scientific and the Czechoslovak Microscopic Society scholarship for young researchers. P.A.C., K.V., and P.R. acknowledge support from the US National Science Foundation CHE-1508667 and the use of (S)TEM at John M. Cowley Center for High Resolution Electron Microscopy, Eyring Materials Center at Arizona State University
- Published
- 2018
30. Buildings
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Peter Rez
- Abstract
Most of the energy used by buildings goes into heating and cooling. For small buildings, such as houses, heat transfer by conduction through the sides is as much as, if not greater than, the heat transfer from air exchanges with the outside. For large buildings, such as offices and factories, the greater volume-to-surface ratio means that air exchanges are more significant. Lights, people and equipment can make significant contributions. Since the energy used depends on the difference in temperature between the inside and the outside, local climate is the most important factor that determines energy use. If heating is required, it is usually more efficient to use a heat pump than to directly burn a fossil fuel. Using diffuse daylight is always more energy efficient than lighting up a room with artificial lights, although this will set a limit on the size of buildings.
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- 2017
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31. Electrical Power Generation: Renewables—Solar and Wind
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Peter Rez
- Abstract
Solar and wind power have low power densities. Large areas will be required to generate the electrical energy that we are using right now. These energy sources are intermittent, although sunshine is reasonably predictable in desert climates. Even in these ideal locations, fixed rooftop PV can only be used to meet a relatively small proportion of total electrical demand. Solar thermal with molten salt storage has a higher efficiency, and can better match electrical demands in these places. For wind turbines to generate their advertised or rated power, winds have to be blowing at about 12 m/sec (20 kt or 24 mph). In the United States, except in mountain passes and the Texas panhandle, this does not appear to happen very often. A simple test of whether a given renewable energy source is practical is to check whether it can meet the electrical demands of a single house.
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- 2017
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32. Agriculture—Things That Are Grown
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Peter Rez
- Abstract
Timber has the lowest embodied energy of any of the construction materials. Paper production from trees requires much more energy. There is some energy saving in recycling, as recycled paper substitutes for pulp derived from wood chips. Growing crops for food also requires energy. The energy required for plants to grow comes from the sun, but there are additional energy inputs from fertiliser and farm machinery to speed up the growth process and vastly improve crop yields. If grains are used as animal feed, then the energy inputs are much larger than the dietary energy output—the larger the animal and the longer it is fattened up before slaughter, the more inefficient the process. The use of crops to make fuel for electrical power generation or for processing into liquid fuels is horribly inefficient. The problem is simple—the plants do not grow fast enough!
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- 2017
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33. Ground Transportation: Ships
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Peter Rez
- Abstract
The drag on ships comes from movement through the water. There is a part that is analogous to the parasitic drag in aircraft, and a part that comes from creating the bow and stern waves—in some ways similar to the compressibility drag in aircraft that approach the speed of sound. Given that the density of water is more than 800 times that of air, speeds through the water are slower. Drag coefficients are specified differently for ships than for cars, trucks and airplanes. The relevant area is the total wetted area, and not the frontal projected area. Ships can be very efficient—the very powerful two-stroke diesels that power large container ships and tankers can be over 50% thermally efficient.
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- 2017
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34. Air Transportation
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Peter Rez
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When an airplane is full, the energy used to travel a given distance compares very favourably with driving an economical car. Primary energy use is less since airplane turbofan engines are more efficient than car engines. Even airplanes with propellers driven by petrol engines are more efficient than cars as the engines are operating at near-peak rpm and producing a higher proportion of the rated power. Air travel uses a lot of energy because it makes travelling long distances easy, even if not very comfortable. The airplane is limited by the weight it can carry, which puts a limit on how tightly the passengers can be squeezed together. Given that drag will always be a factor in high-speed transportation, even for ground transportation, energy use can be minimised by reducing the cross-sectional area and squeezing more people into even smaller spaces, such as in the hyperloop.
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- 2017
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35. Electrical Power Generation: Fossil Fuels
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Peter Rez
- Abstract
Nearly all electrical power is generated by rotating a coil in a magnetic field. In most cases, the coil is turned by a steam turbine operating according to the Rankine cycle. Water is boiled and heated to make high-pressure steam, which drives the turbine. The thermal efficiency is about 30–35%, and is limited by the highest steam temperature tolerated by the turbine blades. Alternatively, a gas turbine operating according to the Brayton cycle can be used. Much higher turbine inlet temperatures are possible, and the thermal efficiency is higher, typically 40%. Combined cycle generation, in which the hot exhaust from a gas turbine drives a Rankine cycle, can achieve thermal efficiencies of almost 60%. Substitution of coal-fired by combined cycle natural gas power plants can result in significant reductions in CO2 emissions.
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- 2017
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36. Energy and Society
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Peter Rez
- Abstract
The more ‘developed’ the country and the higher the ‘standard of living’, the greater the energy use per person. Energy use can be broken down into three main categories—maintaining a comfortable environment in buildings, transportation of people and things and manufacturing stuff. More energy per person is used in colder countries than in warmer ones. Also, countries where people drive large cars over longer distances every year (United States, Canada and Australia) use more oil per person than European countries. Carbon dioxide emission is related to how much oil is used per person, and how electricity is generated. If a lot of electricity is generated from coal power stations, this will result in higher carbon dioxide emissions. As France has shown, substitution of coal by nuclear power results in a significant reduction in carbon dioxide emissions.
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- 2017
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37. Embodied Energy and Energy Return on Investment
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Peter Rez
- Abstract
It is nearly always the case that the energy used to make the materials dominates, whereas the energy used in shipping either the raw materials or the finished product is usually small in comparison. For most things that we use, the embodied energy is much less than the energy consumed in operational use. When considering energy generation, there are two energy costs that should be considered. There is the energy needed to build the system, which can be thought of as a ‘capital’ or investment energy, and the energy needed to provide the fuel. For fossil fuels, the energy needed to provide the fuel dominates; for renewables, the fuel is free, so there is only an investment energy. The investment energy for nuclear power is greater than the energy needed to make the fuel, but only by a factor of about 4.
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- 2017
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38. Transportation: Fuel Energies
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Peter Rez
- Abstract
Transportation efficiency can be measured in terms of the energy needed to move a person or a tonne of freight over a given distance. For passengers, journey time is important, so an equally useful measure is the product of the energy used and the time taken for the journey. Transportation requires storage of energy. Rechargeable systems such as batteries have very low energy densities as compared to fossil fuels. The highest energy densities come from nuclear fuels, although, because of shielding requirements, these are not practical for most forms of transportation. Liquid hydrocarbons represent a nice compromise between high energy density and ease of use.
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- 2017
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39. Materials That Come from the Earth
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Peter Rez
- Abstract
Many of the materials used are ultimately derived from things extracted from the earth. There is always an energy-intensive step of converting the oxide as found in the earth’s crust to the element or metal. Since carbon in the form of coke is frequently used in this process, it is inevitable that CO2 is emitted. Another thing to consider is the scarcity of the compound from which the element will be derived—that is, the grade of the ore. A low grade of ore, with little of the element of interest, will mean more energy will need to be used to dig up a greater quantity of material. Practically everything has gone through some form of high-temperature processing that contributes to its embodied energy. The embodied energy can be very high if extreme purity is demanded or if a low-abundance isotope is needed.
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- 2017
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40. Electrical Power Generation: Hydroelectricity, Tides and Pumped Storage
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Peter Rez
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Hydroelectricity already contributes to electrical supply in places where it can. What are needed are rivers with adequate flow that can be dammed to provide a significant vertical drop. These are usually found in mountainous regions where runoff from snowmelt provides adequate water supply. Renewables such as solar and wind have low power densities. That means large areas will be needed to meet the electrical energy needs of cities in developed countries. The other problem is that they do not supply power when it is needed. Energy can be stored by pumping water uphill into a reservoir at a higher elevation. All the energy needs of a desert city can be met with solar in places where every day is sunny. Low-density development means there is enough roof area, and there are elevation differences for pumped storage. There are not many places in the world that meet all these conditions.
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- 2017
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41. Electrical Power Distribution
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Peter Rez
- Abstract
It is very difficult to store electrical energy in sufficient quantities, and transmission over long distances results in unacceptable losses. Generation of electrical power therefore has to match demand. The peaks in electrical demand usually come from domestic rather than industrial consumers. Generating systems that are best left running continuously, such as nuclear, are used to meet the base load, which is the demand that does not change with time of day or season. Generally, anything involving a steam cycle is better suited to meeting base load demand. Gas turbines that can respond quickly are used to meet demand peaks.
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- 2017
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42. Nuclear Power Generation
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Peter Rez
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The primary advantage of nuclear power is that a lot of energy can be generated from very little material—that too with no ongoing CO2 production. The disadvantage is the problem of dealing with radioactive waste—in particular,137Cs. Although somewhat challenging, it still appears to be manageable. Progress in nuclear fusion research has been slow, but the ultimate reward of almost unlimited energy would make it worthwhile to keep going.
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- 2017
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43. Summary—What Should Be Done?
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Peter Rez
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Energy policy should start with an analysis of what physics and engineering say is possible, followed by an analysis of economics, and not be driven by mandates that favour renewable energy sources. In practice, it is very hard to make renewables such as solar and wind work, owing to their intermittency, and so widespread adoption might not lead to any reduction in carbon dioxide emissions, as demonstrated by the German ‘Energiewende’. To reduce carbon dioxide emissions, all base load electrical demand should be generated by nuclear power, as in France. To cut down on energy requirements, industrial countries should transition from a ‘throwaway society’ to a ‘repair’ society, and people should cut down on travel and meat consumption.
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- 2017
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44. Introduction
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Peter Rez
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Our standard of living depends on transforming energy locked up in fossil fuels, atomic nuclei or provided free of charge by the sun and wind into a form that we can use. That transformation of energy is governed by fundamental physics and chemistry. This book is for those who want to understand more about where the energy we use comes from, and how it gets used. It lays out the simple physics behind our use of energy....
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- 2017
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45. The influence of surfaces and interfaces on high spatial resolution vibrational EELS from SiO2
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Katia March, Peter A. Crozier, Kartik Venkatraman, and Peter Rez
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Materials science ,Drop (liquid) ,02 engineering and technology ,Electron ,021001 nanoscience & nanotechnology ,01 natural sciences ,Molecular physics ,Structural Biology ,Transmission electron microscopy ,Molecular vibration ,0103 physical sciences ,Coulomb ,Radiology, Nuclear Medicine and imaging ,Nanometre ,010306 general physics ,0210 nano-technology ,Relativistic quantum chemistry ,Spectroscopy ,Instrumentation - Abstract
High-resolution monochromated electron energy-loss spectroscopy has the potential to map vibrational modes at nanometer resolution. Using the SiO2/Si interface as a test case, we observe an initial drop in the SiO2 vibrational signal when the electron probe is 200 nm from the Si due to long-range nature of the Coulomb interaction. However, the distance from the interface at which the SiO2 integrated signal intensity drops to half its maximum value is 5 nm. We show that nanometer resolution is possible when selecting the SiO2/Si interface signal which is at a different energy position than the bulk signal. Calculations also show that, at 60 kV, the signal in the SiO2 can be treated non-relativistically (no retardation) while the signal in the Si, not surprisingly, is dominated by relativistic effects. For typical transmission electron microscope specimen thicknesses, surface coupling effects must also be considered.
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- 2017
46. Entropic Comparison of Atomic-Resolution Electron Tomography of Crystals and Amorphous Materials
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Rowan K. Leary, Peter Rez, Martin Benning, Carola-Bibiane Schönlieb, Robert Tovey, Michael Treacy, Paul A. Midgley, and Sean M. Collins
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Optimal sampling ,Materials science ,Entropy (statistical thermodynamics) ,Physics::Medical Physics ,General Physics and Astronomy ,Nanoparticle ,02 engineering and technology ,021001 nanoscience & nanotechnology ,01 natural sciences ,Amorphous solid ,Electron tomography ,Atomic resolution ,Chemical physics ,0103 physical sciences ,Tomography ,010306 general physics ,0210 nano-technology - Abstract
Electron tomography bears promise for widespread determination of the three-dimensional arrangement of atoms in solids. However, it remains unclear whether methods successful for crystals are optimal for amorphous solids. Here, we explore the relative difficulty encountered in atomic-resolution tomography of crystalline and amorphous nanoparticles. We define an informational entropy to reveal the inherent importance of low-entropy zone-axis projections in the reconstruction of crystals. In turn, we propose considerations for optimal sampling for tomography of ordered and disordered materials.
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- 2017
47. Comment on 'The challenge of energy-efficient transportation' J. Hermans
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Peter Rez
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Primary energy ,business.industry ,020209 energy ,02 engineering and technology ,010501 environmental sciences ,01 natural sciences ,Automotive engineering ,Photovoltaics ,0202 electrical engineering, electronic engineering, information engineering ,Energy density ,Train ,Electric power ,Electricity ,business ,Embodied energy ,0105 earth and related environmental sciences ,Efficient energy use - Abstract
It’s hard to beat the energy density and convenience of liquid hydrocarbons. The product of energy used and journey time is another way to compare transportation systems. It is more practical to power electric cars from batteries than photovoltaics. Solar can be used to supply some of the energy needed to recharge the batteries. The primary energy used to make food, the fuel for the human cyclist, can be many times the calorific energy derived from the food. Transportation is a major source of carbon dioxide emissions. Hermans makes some excellent points in his article “The challenge of energyefficient transportation.” However primary energy to produce fuel should also be considered. The embodied energy of liquid hydrocarbon fuels is much less than their energy content. For a cyclist the fuel is food, and, depending on diet, the primary energy can be many times the food’s calorific energy. The article is over optimistic on the prospect of cars directly powered by solar photovoltaics. It’s more realistic to use batteries in electric cars and generate the electricity from a number of sources. For anything other than trains that run on fixed tracks it’s hard to beat the energy density and convenience of liquid hydrocarbons.
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- 2017
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48. Vibrational spectroscopy in the electron microscope
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Philip E. Batson, Tracy C. Lovejoy, Toshihiro Aoki, Niklas Dellby, Ray Carpenter, Maureen J. Lagos, Jiangtao Zhu, Peter Rez, Emmanuel Soignard, Ray F. Egerton, Ondrej L. Krivanek, and Peter A. Crozier
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Microscopy, Electron, Scanning Transmission ,Multidisciplinary ,Chemistry ,Scanning electron microscope ,Spectrum Analysis ,Electron energy loss spectroscopy ,Analytical chemistry ,Electrons ,Hydrogen Bonding ,Vibration ,Molecular physics ,Electron spectroscopy ,law.invention ,law ,Scanning transmission electron microscopy ,Phonons ,Energy filtered transmission electron microscopy ,Electron microscope ,Electron beam-induced deposition ,High-resolution transmission electron microscopy ,Hydrogen - Abstract
Vibrational spectroscopies using infrared radiation, Raman scattering, neutrons, low-energy electrons and inelastic electron tunnelling are powerful techniques that can analyse bonding arrangements, identify chemical compounds and probe many other important properties of materials. The spatial resolution of these spectroscopies is typically one micrometre or more, although it can reach a few tens of nanometres or even a few ångströms when enhanced by the presence of a sharp metallic tip. If vibrational spectroscopy could be combined with the spatial resolution and flexibility of the transmission electron microscope, it would open up the study of vibrational modes in many different types of nanostructures. Unfortunately, the energy resolution of electron energy loss spectroscopy performed in the electron microscope has until now been too poor to allow such a combination. Recent developments that have improved the attainable energy resolution of electron energy loss spectroscopy in a scanning transmission electron microscope to around ten millielectronvolts now allow vibrational spectroscopy to be carried out in the electron microscope. Here we describe the innovations responsible for the progress, and present examples of applications in inorganic and organic materials, including the detection of hydrogen. We also demonstrate that the vibrational signal has both high- and low-spatial-resolution components, that the first component can be used to map vibrational features at nanometre-level resolution, and that the second component can be used for analysis carried out with the beam positioned just outside the sample--that is, for 'aloof' spectroscopy that largely avoids radiation damage.
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- 2014
- Full Text
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49. Nanocrystallite model for amorphous calcium carbonate
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Peter Rez, Sourabh Sinha, and Assaf Gal
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Calcite ,Diffraction ,Materials science ,Birefringence ,Analytical chemistry ,Infrared spectroscopy ,General Biochemistry, Genetics and Molecular Biology ,Amorphous calcium carbonate ,Amorphous solid ,law.invention ,chemistry.chemical_compound ,chemistry ,Electron diffraction ,law ,Electron microscope - Abstract
Amorphous calcium carbonate phases, either synthesized artificially or generated biogenically, can be identified from broadened peaks in X-ray or electron diffraction profiles. It is conceivable that randomly oriented nanocrystals, approximately 1 nm in size, could give rise to coherent diffraction profiles that are characterized as amorphous. The coherent diffraction profiles for 200 keV electrons, as might be used in an electron microscope, and Cu Kα X-rays were calculated for needle-shaped calcite crystals bounded by \{ {11\overline 21}\} facets and rhomb-shaped crystals bounded by \{ {10\overline 14} \} facets. Crystals of about 1.0 nm in size gave a profile that is consistent with the X-ray measurements of amorphous calcium carbonate. The relative intensity of high-angle broadened peaks and changes in the IR spectrum are best explained by disorder in the nanocrystallites. The presence of randomly oriented nanocrystallites also explains the lack of optical birefringence.
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- 2014
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50. Polarization Dependence of Aragonite Calcium L-Edge XANES Spectrum Indicates c and b Axes Orientation
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Rebecca A. Metzler and Peter Rez
- Subjects
Calcite ,X-ray absorption spectroscopy ,Aragonite ,Inorganic chemistry ,Analytical chemistry ,chemistry.chemical_element ,Models, Theoretical ,Calcium ,engineering.material ,Oxygen ,Carbon ,XANES ,Spectral line ,Calcium Carbonate ,Surfaces, Coatings and Films ,chemistry.chemical_compound ,X-Ray Absorption Spectroscopy ,Calcium carbonate ,chemistry ,Materials Chemistry ,engineering ,Physical and Theoretical Chemistry - Abstract
Calcium carbonate minerals are frequently found in biomineral structures and are the predominant mineral in invertebrates. While there are several calcium carbonate polymorphs, aragonite and calcite are the two most commonly found in biogenic systems. Currently, calcium L-edge X-ray absorption near-edge structure (XANES) spectra are used to distinguish between different calcium carbonate polymorphs, including calcite and aragonite, while oxygen and carbon K-edge XANES spectra are often used to determine the c axis orientation of a given calcium carbonate crystal. By doing a full analysis of the calcite and aragonite calcium L-edge XANES spectrum for both geologic and biogenic systems, we were able to show that aragonite has a polarization-dependent peak while calcite does not. Analysis based on both multiplet models and density functional calculations show how the polarization dependence arises from directional bonds between the calcium and oxygen atoms within aragonite. These data not only enable an interpretation of the aragonite calcium L-edge XANES spectrum but also the ability to determine the orientation of the c and b axes of aragonite crystals within a biomineral sample.
- Published
- 2014
- Full Text
- View/download PDF
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