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Graphical representations of data are common in many disciplines. Previous research has found that physics students appear to have better graph comprehension skills than students from social science disciplines, regardless of the task context. However, the graph comprehension skills of physics students have not yet been compared with (veterinary) medicine students, both of which are disciplines that require multiple science, technology, engineering, and mathematics (STEM) courses. This study extends previous research on this subject by exploring whether physics majors possess superior graph comprehension skills due to their study discipline. Here, participants solved 24 graph comprehension tasks across various subjects, including mathematics, physics, and medicine; these tests were conducted at the beginning and end of their first semester. Graph comprehension gain was calculated based on the percentage of correct and incorrect answers in the pretest and the post-test. In addition to these comparisons, we replicated previous research that successfully distinguished correct and incorrect solvers based on their visual behavior by using a novel machine-learning method tailored to small datasets. Through this replication of statistical analyses, we aim to ensure the reliability of adaptive learning systems in the future, regardless of data size, using the same machine-learning method. Physics and medical students were found to exhibit relatively similar graph comprehension gain; this is in contrast to previous research comparing physics and non-STEM students. Our results also revealed that both physics and medical students use similar visual strategies to solve these tasks. However, correct and incorrect solvers could be distinguished via machine-learning methods regardless of their discipline. Our research suggests that visual behavior is a good predictor of graph comprehension skills.

We make use of published yields for D-mesons and J/ψ in Pb+Pb collisions at ALICE and a schematic description of the expansion of the hadron gas to study D-meson collisions during the hadronic break-up phase as a production mechanism for charmonium in relativistic heavy ion collisions at the Large Hadron Collider. Our calculation is based on chemical reaction rates with thermal cross sections for an effective meson interaction among pseudoscalar and vector mesons. We find that due to regeneration, the newly measured J/ψ yields are consistent with anywhere from roughly 25% to 110% of the total yield present at hadronization time. This allows us to bound the fractional abundance of J/ψ immediately after hadronization: 0.28≤dN0J/ψ/dydNeqJ/ψ/dy≤1.13. Our results are robust under the relaxation of the particulars of our schematic description and imply that it will be difficult to distinguish regeneration during hadronization from regeneration by final-state hadronic interactions. Therefore, regeneration must be taken into account when modeling.

We report on progress in full quantum understanding of thermalization in non-Abelian gauge theories. Specifically, we test the eigenstate thermalization hypothesis for (2+1)-dimensional SU(2) lattice gauge theory.

I review the physics of the phase boundary between hadronic matter and quark matter from several different points of view. These include thermodynamics, statistical physics, and chemical kinetics. In particular, the review focuses on the role of the chemical freeze-out line and its relation to the concept of valence-quark percolation. The review ends with some recollections of Jean Cleymans.

We present here results from a new mechanism, CRI-HOM, which we have developed to simulate the formation of highly oxygenated organic molecules (HOMs) from the gas-phase oxidation of α-pinene, one of the most widely emitted biogenic volatile organic compounds (BVOCs) by mass. This concise scheme adds 12 species and 66 reactions to the Common Representative Intermediates (CRI) mechanism v2.2 Reduction 5 and enables the representation of semi-explicit HOM treatment suitable for long-term global chemistry–aerosol–climate modelling, within a comprehensive tropospheric chemical mechanism. The key features of the new mechanism are (i) representation of the autoxidation of peroxy radicals from the hydroxyl radical and ozone initiated reactions of α-pinene, (ii) formation of multiple generations of peroxy radicals, (iii) formation of accretion products (dimers), and (iv) isoprene-driven suppression of accretion product formation, as observed in experiments. The mechanism has been constructed through optimisation against a series of flow tube laboratory experiments. The mechanism predicts a HOM yield of 2 %–4.5 % under conditions of low to moderate NOx, in line with experimental observations, and reproduces qualitatively the decline in HOM yield and concentration at higher NOx levels. The mechanism gives a HOM yield that also increases with temperature, in line with observations, and our mechanism compares favourably to some of the limited observations of [HOM] observed in the boreal forest in Finland and in the southeast USA. The reproduction of isoprene-driven suppression of HOMs is a key step forward as it enables global climate models to capture the interaction between the major BVOC species, along with the potential climatic feedbacks. This suppression is demonstrated when the mechanism is used to simulate atmospheric profiles over the boreal forest and rainforest; different isoprene concentrations result in different [HOM] distributions, illustrating the importance of BVOC interactions in atmospheric composition and climate. Finally particle nucleation rates calculated from [HOM] in present-day and pre-industrial atmospheres suggest that “sulfuric-acid-free” nucleation can compete effectively with other nucleation pathways in the boreal forest, particularly in the pre-industrial period, with important implications for the aerosol budget and radiative forcing.

The purpose of this ex vivo study was to determine the accuracy of template-based guided endodontics for access cavity preparation and root canal detection in posterior teeth. First, three maxillary and four mandibular models were constructed using 67 premolars and molars, with a total number of 135 main root canals. Cone beam computed tomography (CBCT) and three-dimensional 3D surface scans of each model were performed and matched in order to plan access cavity preparation and design templates virtually. Template-guided access cavity preparation was then performed for each tooth, followed by postoperative CBCT scanning. Deviations between planned and prepared access cavities were measured after superimposition of the pre- and postoperative CBCT scans, and they were analyzed using descriptive and multivariate statistics. All root canals (135/135) were detected utilizing guided endodontics. The mean angle deviation was 1.4 degrees, and the mean deviations at the tip and base of the bur were 0.24–0.31 mm and 0.26–0.29 mm, respectively. This study demonstrated that guided endodontics is an accurate and predictable method for endodontic access cavity preparation in posterior teeth.

Written version of the theoretical summary lecture presented at the Strangeness in Quark Matter 2022 conference.

Arrays of phthalocyanine molecules on Pb(100) are investigated with scanning tunneling microscopy. Maps of the differential conductance exhibit drastic changes as the sample voltage is being varied. Maximal conductances are observed at positions between the molecules mimicking bonding states. However, the maxima are shown to result from a superposition of non-interacting states. We expect that this effect may be observed from many other molecules.

Recent studies have recognised highly oxygenated organic molecules (HOMs) in the atmosphere as important in the formation of secondary organic aerosol (SOA). A large number of studies have focused on HOM formation from oxidation of biogenically emitted monoterpenes. However, HOM formation from anthropogenic vapours has so far received much less attention. Previous studies have identified the importance of aromatic volatile organic compounds (VOCs) for SOA formation. In this study, we investigated several aromatic compounds, benzene (C6H6), toluene (C7H8), and naphthalene (C10H8), for their potential to form HOMs upon reaction with hydroxyl radicals (OH). We performed flow tube experiments with all three VOCs and focused in detail on benzene HOM formation in the Jülich Plant Atmosphere Chamber (JPAC). In JPAC, we also investigated the response of HOMs to NOx and seed aerosol. Using a nitrate-based chemical ionisation mass spectrometer (CI-APi-TOF), we observed the formation of HOMs in the flow reactor oxidation of benzene from the first OH attack. However, in the oxidation of toluene and naphthalene, which were injected at lower concentrations, multi-generation OH oxidation seemed to impact the HOM composition. We tested this in more detail for the benzene system in the JPAC, which allowed for studying longer residence times. The results showed that the apparent molar benzene HOM yield under our experimental conditions varied from 4.1 % to 14.0 %, with a strong dependence on the OH concentration, indicating that the majority of observed HOMs formed through multiple OH-oxidation steps. The composition of the identified HOMs in the mass spectrum also supported this hypothesis. By injecting only phenol into the chamber, we found that phenol oxidation cannot be solely responsible for the observed HOMs in benzene experiments. When NOx was added to the chamber, HOM composition changed and many oxygenated nitrogen-containing products were observed in CI-APi-TOF. Upon seed aerosol injection, the HOM loss rate was higher than predicted by irreversible condensation, suggesting that some undetected oxygenated intermediates also condensed onto seed aerosol, which is in line with the hypothesis that some of the HOMs were formed in multi-generation OH oxidation. Based on our results, we conclude that HOM yield and composition in aromatic systems strongly depend on OH and VOC concentration and more studies are needed to fully understand this effect on the formation of HOMs and, consequently, SOA. We also suggest that the dependence of HOM yield on chamber conditions may explain part of the variability in SOA yields reported in the literature and strongly advise monitoring HOMs in future SOA studies.

This in vitro study was designed to investigate whether conventionally produced casts and printed casts for prosthodontic purposes show comparable full-arch accuracy; a ceramic reference cast with inlay and crown preparations was fabricated. Ten gypsum casts were fabricated from conventional silicone elastomeric impressions. Ten digital impressions [IOS] of the reference cast were obtained by an intraoral scanner to fabricate 3D-printed resin casts. The ceramic reference cast, the gypsum, and the printed casts were digitized by an industrial structured light scanner (ILS) and provided as stl files. To evaluate absolute mean trueness values, the digitized gypsum casts [CON], digitized printed casts [PRINT], and [IOS] were superimposed with the digitized ceramic reference cast [REF]. Additionally, each [IOS] scan was compared with its corresponding [PRINT]. The precision was calculated for [CON], [IOS], and [PRINT]. The Mann–Whitney U test for independent samples and the Wilcoxon test for connected samples were performed (p ≤ 0.05). As absolute mean deviation trueness values were obtained: 69 ± 24 µm for [REF]-[CON], 33 ± 4 µm for [REF]-[PRINT], and 19 ± 3 µm for [REF]-[IOS]. The superimposition [IOS]-[PRINT] revealed 38 ± 6 µm. The precision was 74 ± 22 µm for [CON], 32 ± 10 µm for [PRINT], and 15 ± 4 µm for [IOS]. With respect to the workflow, the trueness values of [REF]-[CON] and [REF]-[PRINT] differed significantly. Within the digital workflow, [REF]-[PRINT], [REF]-[IOS], and [IOS]-[PRINT], all values differed significantly. Within the limitations of the study, digital impression and printed cast fabrication were more accurate and reproducible than the conventional workflow.

Spatially resolved measurements of the apparent tunneling barrier height Φapp in scanning tunneling microscopy have been used to estimate variations of the local work function Φ of surface structures. We experimentally show that Φapp can fail as a measure of Φ. The discrepancies are attributed to a kinetic-energy contribution to Φapp. This contribution depends on the lateral extent of the tunneling current filament and, consequently, on the local surface structure.

(1) Background: This in-vitro study was designed to investigate the accuracy of CAD/CAM fabricated occlusal devices with different heights and volumes. (2) Methods: Based on an intraoral scan, an occlusal device with a vertical bite elevation of 2.5 mm and 4.5 mm was digitally designed and 3D printed 10 times. The fabricated occlusal devices were digitized by an industrial structured light scanner (ILS) and provided in stl-format as test objects. The test objects were superimposed with the design dataset as reference to evaluate the accuracy of complete surfaces ([2.5_TOTAL] and [4.5_TOTAL]) with respect to their internal surfaces ([2.5_INTERNAL] and [4.5_INTERNAL]). The mean trueness and precision were calculated based on absolute mean deviation. Absolute and relative volume differences between reference and test were computed. Statistical significances were analyzed performing the Wilcoxon test (α = 0.05). (3) Results: As absolute mean deviation trueness values were obtained: 59 ± 5 µm for [2.5_INTERNAL], 98 ± 9 µm for [4.5_INTERNAL], 68 ± 1 µm for [2.5_TOTAL] and 90 ± 10 µm for [4.5_TOTAL]. The precision applying absolute mean deviation was 14 ± 8 µm for [2.5_INTERNAL], 22 ± 11 µm for [4.5_INTERNAL], 19 ± 10 µm for [2.5_TOTAL] and 26 ± 13 µm for [4.5_TOTAL]. The mean trueness and precision values differed significantly. Volume differences of 2.11% for [4.5_TOTAL] and of 2.35% for [2.5_TOTAL] in comparison to their reference file were evaluated. (4) Conclusions: Printed occlusal devices with minor height and volume were more accurate. Both types of devices exhibited results that were comparable to the literature.

(1) Aims: To test a newly designed helical-wire hook electrode implanted in the bladder wall to induce contraction and promote voiding. (2) Methods: In three minipigs with a created lesion of the sacral spinal cord, four electrodes were implanted in the bladder wall, ventral to the trigone. Stimulation tests were conducted initially in conscious pigs, and later after general anesthesia. (3) Results: Electrical stimulation in the conscious animals on postoperative days 4 and 7 at 40 Hz was limited to 10 mA, because of abdominal, leg, and anal contractions with animal discomfort; bladder contractions were not induced. Electrical stimulation on postoperative days 9 and 28 at 60 mA under anesthesia induced sustained vesical wall contractions with bladder pressure variations, but without voiding. Simultaneous abdominal contractions occurred, with strong leg and anal contractions. Subsequent stimulation with a single set of electrodes or at 20 Hz induced less vesical pressure response. At autopsy, the electrodes had not migrated, and extraction forces were high, at 7.9 ± 0.9 Newtons (n = 12). (4) Conclusions: Our 28-day study has confirmed the utility of the new electrode design, preventing migration from the bladder wall and making it suitable for long-term electrode implants.

Avoiding ice accumulation on aerodynamic components is of enormous importance to flight safety. Novel approaches utilizing surface dielectric barrier discharges (SDBDs) are expected to be more efficient and effective than conventional solutions for preventing ice accretion on aerodynamic components. In this work, the realization of SDBDs based on thin-film substrates by means of micro-electro-mechanical-systems (MEMS) technology is presented. The anti-icing performance of the MEMS SDBDs is presented and compared to SDBDs manufactured by printed circuit board (PCB) technology. It was observed that the 35 μm thick electrodes of the PCB SDBDs favor surface icing with an initial accumulation of supercooled water droplets at the electrode impact edges. This effect was not observed for 0.3 μm thick MEMS-fabricated electrodes indicating a clear advantage for MEMS-technology SDBDs for anti-icing applications. Titanium was identified as the most suitable material for MEMS electrodes. In addition, an optimization of the MEMS-SDBDs with respect to the dielectric materials as well as SDBD design is discussed.

This paper describes the implementation of a kinetic gas-particle partitioning approach used for the simulation of secondary organic aerosol (SOA) formation within the SPectral Aerosol Cloud Chemistry Interaction Model (SPACCIM). The kinetic partitioning considers the diffusion of organic compounds into aerosol particles and the subsequent chemical reactions in the particle phase. The basic kinetic partitioning approach is modified by the implementation of chemical backward reaction of the solute within the particle phase as well as a composition-dependent particle-phase bulk diffusion coefficient. The adapted gas-phase chemistry mechanism for α-pinene oxidation has been updated due to the recent findings related to the formation of highly oxidized multifunctional organic compounds (HOMs). Experimental results from a LEAK (Leipziger Aerosolkammer) chamber study for α-pinene ozonolysis were compared with the model results describing this reaction system.The performed model studies reveal that the particle-phase bulk diffusion coefficient and the particle-phase reactivity are key parameters for SOA formation. Using the same particle-phase reactivity for both cases, we find that liquid particles with higher particle-phase bulk diffusion coefficients have 310 times more organic material formed in the particle phase compared to higher viscous semi-solid particles with lower particle-phase bulk diffusion coefficients. The model results demonstrate that, even with a moderate particle-phase reactivity, about 61 % of the modeled organic mass consists of reaction products that are formed in the liquid particles. This finding emphasizes the potential role of SOA processing. Moreover, the initial organic aerosol mass concentration and the particle radius are of minor importance for the process of SOA formation in liquid particles. A sensitivity study shows that a 22-fold increase in particle size merely leads to a SOA increase of less than 10 %.Due to two additional implementations, allowing backward reactions in the particle phase and considering a composition-dependent particle-phase bulk diffusion coefficient, the potential overprediction of the SOA mass with the basic kinetic approach is reduced by about 40 %. HOMs are an important compound group in the early stage of SOA formation because they contribute up to 65 % of the total SOA mass at this stage. HOMs also induce further SOA formation by providing an absorptive medium for SVOCs (semi-volatile organic compounds). This process contributes about 27 % of the total organic mass. The model results are very similar to the LEAK chamber results. Overall, the sensitivity studies demonstrate that the particle reactivity and the particle-phase bulk diffusion require a better characterization in order to improve the current model implementations and to validate the assumptions made from the chamber simulations. The successful implementation and testing of the current kinetic gas-particle partitioning approach in a box model framework will allow further applications in a 3-D model for regional-scale process investigations.

We investigate the shear viscosity of thermalized photons in the quark gluon plasma (QGP) at weak coupling and N=4 super Yang–Mills plasma (SYMP) at both strong and weak couplings. We find that the shear viscosity due to the photon–parton scattering up to the leading order of electromagnetic coupling is suppressed when the coupling of the QGP/SYMP is increased, which stems from the blue-shift of the thermal-photon spectrum at strong coupling. In addition, the shear viscosity rapidly increases near the deconfinement transition in a phenomenological model analogous to the QGP.

The gas-phase mechanism of the formation of highly oxidized multifunctional organic compounds (HOMs) from the ozonolysis of β-caryophyllene was investigated in a free-jet flow system at atmospheric pressure and a temperature of 295 ± 2 K. Reaction products, mainly highly oxidized RO2 radicals containing up to 14 oxygen atoms, were detected using chemical ionization – atmospheric pressure interface – time-of-flight mass spectrometry with nitrate and acetate ionization. These highly oxidized RO2 radicals react with NO, NO2, HO2 and other RO2 radicals under atmospheric conditions forming the first-generation HOM closed-shell products. Mechanistic information on the formation of the highly oxidized RO2 radicals is based on results obtained with isotopically labelled ozone (18O3) in the ozonolysis reaction and from hydrogen/deuterium (H/D) exchange experiments of acidic H atoms in the products. The experimental findings indicate that HOM formation in this reaction system is considerably influenced by the presence of a double bond in the RO2 radicals primarily formed from the β-caryophyllene ozonolysis. Three different reaction types for HOM formation can be proposed, allowing for an explanation of the detected main products: (i) the simple autoxidation, corresponding to the repetitive reaction sequence of intramolecular H-abstraction of a RO2 radical, RO2 → QOOH, and subsequent O2 addition, next forming a peroxy radical, QOOH + O2 → R′O2; (ii) an extended autoxidation mechanism additionally involving the internal reaction of a RO2 radical with a double bond forming most likely an endoperoxide and (iii) an extended autoxidation mechanism including CO2 elimination. The individual reaction steps of the reaction types (ii) and (iii) are uncertain at the moment. From the product analysis it can be followed that the simple autoxidation mechanism accounts only for about one-third of the formed HOMs. Time-dependent measurements showed that the HOM formation proceeds at a timescale of 3 s or less under the concentration regime applied here. The new reaction pathways represent an extension of the mechanistic understanding of HOM formation via autoxidation in the atmosphere, as recently discovered from laboratory investigations on monoterpene ozonolysis.

Conventional production methods for high precision lens alignment typically rely on lens rotation. In the case of rotationally non-symmetric optics and mounts, this is problematic. Here, we report a new concept for alignment bonding without lens rotation, based on a high precision linear bearing as position reference and a hexapod actuator for lens manipulation. For the optical axis of two test lenses after bonding,

Oxidation processes in Earth's atmosphere are tightly connected to many environmental and human health issues and are essential drivers for biogeochemistry. Until the recent discovery of the atmospheric relevance of the reaction of stabilized Criegee intermediates (sCIs) with SO2, atmospheric oxidation processes were thought to be dominated by a few main oxidants: ozone, hydroxyl radicals (OH), nitrate radicals and, e.g. over oceans, halogen atoms such as chlorine. Here, we report results from laboratory experiments at 293 K and atmospheric pressure focusing on sCI formation from the ozonolysis of isoprene and the most abundant monoterpenes (α-pinene and limonene), and subsequent reactions of the resulting sCIs with SO2 producing sulfuric acid (H2SO4). The measured total sCI yields were (0.15 ± 0.07), (0.27 ± 0.12) and (0.58 ± 0.26) for α-pinene, limonene and isoprene, respectively. The ratio between the rate coefficient for the sCI loss (including thermal decomposition and the reaction with water vapour) and the rate coefficient for the reaction of sCI with SO2, k(loss) /k(sCI + SO2), was determined at relative humidities of 10 and 50%. Observed values represent the average reactivity of all sCIs produced from the individual alkene used in the ozonolysis. For the monoterpene-derived sCIs, the relative rate coefficients k(loss) / k(sCI + SO2) were in the range (2.0–2.4) × 1012 molecules cm−3 and nearly independent of the relative humidity. This fact points to a minor importance of the sCI + H2O reaction in the case of the sCI arising from α-pinene and limonene. For the isoprene sCIs, however, the ratio k(loss) / k(sCI + SO2) was strongly dependent on the relative humidity. To explore whether sCIs could have a more general role in atmospheric oxidation, we investigated as an example the reactivity of acetone oxide (sCI from the ozonolysis of 2,3-dimethyl-2-butene) toward small organic acids, i.e. formic and acetic acid. Acetone oxide was found to react faster with the organic acids than with SO2; k(sCI + acid) / k(sCI + SO2) = (2.8 ± 0.3) for formic acid, and k(sCI + acid) / k(sCI + SO2) = (3.4 ± 0.2) for acetic acid. This finding indicates that sCIs can play a role in the formation and loss of other atmospheric constituents besides SO2.

Anticipating changes in hurricane intensity can be challenging in data sparse regions of the North Atlantic Ocean. Hyperspectral infrared retrieved profiles have the potential to provide a wealth of information about the vertical structure of thermodynamic characteristics of the atmosphere such as temperature and moisture which can impact hurricane intensity. Increased forecaster situational awareness and identification of moist or dry layers in the near-storm environment can indicate impending changes in storm intensity. This investigation demonstrates the utility and value of hyperspectral infrared retrieved profiles to diagnose thermodynamic characteristics of the near-storm environment to anticipate changes in hurricane intensity. Keywords: Hurricane, Sounding, Satellite

Atmospheric H2SO4 / H2O nucleation influencing effects have been studied in the flow tube IfT-LFT (Institute for Tropospheric Research – Laminar Flow Tube) at 293 ± 0.5 K and a pressure of 1 bar using synthetic air as the carrier gas. The presence of a possible background amine concentration in the order of 107–108 molecule cm−3 throughout the experiments has to be taken into account. In a first set of investigations, ozonolysis of olefins (tetramethylethylene, 1-methyl-cyclohexene, α-pinene and limonene) for close to atmospheric concentrations, served as the source of OH radicals and possibly other oxidants initiating H2SO4 formation starting from SO2. The oxidant generation is inevitably associated with the formation of organic oxidation products arising from the parent olefins. These products (first generation mainly) showed no clear effect on the number of nucleated particles within a wide range of experimental conditions for H2SO4 concentrations higher than ~107 molecule cm−3. Also the early growth process of the nucleated particles was not significantly influenced by the organic oxidation products in line with the expected growth by organic products using literature data. An additional, H2SO4-independent process of particle (nano-CN) formation was observed in the case of α-pinene and limonene ozonolysis for H2SO4 concentrations smaller than ~107 molecule cm−3. Furthermore, the findings confirm the appearance of an additional oxidant for SO2 beside OH radicals, very likely stabilized Criegee Intermediates (sCI). A second set of experiments has been performed in the presence of added amines in the concentrations range of a few 107–1010 molecule cm−3 applying photolytic OH radical generation for H2SO4 production without addition of other organics. All amines showed significant nucleation enhancement with increasing efficiency in the order pyridine < aniline < dimethylamine < trimethylamine. This result supports the idea of H2SO4 cluster stabilization by amines due to strong H2SO4↔amine interactions. On the other hand, this study indicates that for organic oxidation products (in presence of the possible amine background as stated) a distinct H2SO4 / H2O nucleation enhancement can be due to increased H2SO4 formation caused by additional organic oxidant production (sCI) rather than by stabilization of H2SO4 clusters due to H2SO4↔organics interactions.

The self-assembly properties of a series of functionalized regioregular oligo(3-alkylthiophenes) were investigated by using scanning tunneling microscopy (STM) at the liquid–solid interface under ambient conditions. The characteristics of the 2-D crystals formed on the (0001) plane of highly ordered pyrolitic graphite (HOPG) strongly depend on the length of the π-conjugated oligomer backbone, on the functional groups attached to it, and on the alkyl substitution pattern on the individual thiophene units. Theoretical calculations were performed to analyze the geometry and electronic density of the molecular orbitals as well as to analyze the intermolecular interactions, in order to obtain models of the 2-D molecular ordering on the substrate.

We introduce a scheme to obtain the deconvolved density of states (DOS) of the tip and sample, from scanning tunneling spectra determined in the constant-current mode (z–V spectroscopy). The scheme is based on the validity of the Wentzel–Kramers–Brillouin (WKB) approximation and the trapezoidal approximation of the electron potential within the tunneling barrier. In a numerical treatment of z–V spectroscopy, we first analyze how the position and amplitude of characteristic DOS features change depending on parameters such as the energy position, width, barrier height, and the tip–sample separation. Then it is shown that the deconvolution scheme is capable of recovering the original DOS of tip and sample with an accuracy of better than 97% within the one-dimensional WKB approximation. Application of the deconvolution scheme to experimental data obtained on Nb(110) reveals a convergent behavior, providing separately the DOS of both sample and tip. In detail, however, there are systematic quantitative deviations between the DOS results based on z–V data and those based on I–V data. This points to an inconsistency between the assumed and the actual transmission probability function. Indeed, the experimentally determined differential barrier height still clearly deviates from that derived from the deconvolved DOS. Thus, the present progress in developing a reliable deconvolution scheme shifts the focus towards how to access the actual transmission probability function.

Terthiophene (3T) molecules adsorbed on herringbone (HB) reconstructed Au(111) surfaces in the low coverage regime were investigated by means of low-temperature scanning tunneling microscopy (STM) and spectroscopy (STS) under ultra-high vacuum conditions. The 3T molecules adsorb preferentially in fcc regions of the HB reconstruction with their longer axis oriented perpendicular to the soliton walls of the HB and at maximum mutual separation. The latter observation points to a repulsive interaction between molecules probably due to parallel electrical dipoles formed during adsorption. Constant-separation (I-V) and constant-current (z-V) STS clearly reveal the highest occupied (HOMO) and lowest unoccupied (LUMO) molecular orbitals, which are found at −1.2 eV and +2.3 eV, respectively. The HOMO–LUMO gap corresponds to that of a free molecule, indicating a rather weak interaction between 3T and Au(111). According to conductivity maps, the HOMO and LUMO are inhomogeneously distributed over the adsorbed 3T, with the HOMO being located at the ends of the linear molecule, and the LUMO symmetrically with respect to the longer axis of the molecule at the center of its flanks. Analysis of spectroscopic data reveals details of the contrast mechanism of 3T/Au(111) in STM. For that, the Shockley-like surface state of Au(111) plays an essential role and appears shifted outwards from the surface in the presence of the molecule. As a consequence, the molecule can be imaged even at a tunneling bias within its HOMO–LUMO gap. A more quantitative analysis of this detail resolves a previous discrepancy between the fairly small apparent STM height of 3T molecules (1.4–2.0 nm, depending on tunneling bias) and a corresponding larger value of 3.5 nm based on X-ray standing wave analysis. An additionally observed linear decrease of the differential tunneling barrier at positive bias when determined on top of a 3T molecule is compared to the bias independent barrier obtained on bare Au(111) surfaces. This striking difference of the barrier behavior with and without adsorbed molecules is interpreted as indicating an adsorption-induced dimensionality transition of the involved tunneling processes.

Within the project EUCAARI (European Integrated project on Aerosol Cloud Climate and Air Quality interactions), atmospheric nucleation was studied by (i) developing and testing new air ion and cluster spectrometers, (ii) conducting homogeneous nucleation experiments for sulphate and organic systems in the laboratory, (iii) investigating atmospheric nucleation mechanism under field conditions, and (iv) applying new theoretical and modelling tools for data interpretation and development of parameterisations. The current paper provides a synthesis of the obtained results and identifies the remaining major knowledge gaps related to atmospheric nucleation. The most important technical achievement of the project was the development of new instruments for measuring sub-3 nm particle populations, along with the extensive application of these instruments in both the laboratory and the field. All the results obtained during EUCAARI indicate that sulphuric acid plays a central role in atmospheric nucleation. However, also vapours other than sulphuric acid are needed to explain the nucleation and the subsequent growth processes, at least in continental boundary layers. Candidate vapours in this respect are some organic compounds, ammonia, and especially amines. Both our field and laboratory data demonstrate that the nucleation rate scales to the first or second power of the nucleating vapour concentration(s). This agrees with the few earlier field observations, but is in stark contrast with classical thermodynamic nucleation theories. The average formation rates of 2-nm particles were found to vary by almost two orders of magnitude between the different EUCAARI sites, whereas the formation rates of charged 2-nm particles varied very little between the sites. Overall, our observations are indicative of frequent, yet moderate, ion-induced nucleation usually outweighed by much stronger neutral nucleation events in the continental lower troposphere. The most concrete outcome of the EUCAARI nucleation studies are the new semi-empirical nucleation rate parameterizations based on field observations, along with updated aerosol formation parameterizations.

Nucleation experiments starting from the reaction of OH radicals with SO2 have been performed in the IfT-LFT flow tube under atmospheric conditions at 293±0.5 K for a relative humidity of 13–61%. The presence of different additives (H2, CO, 1,3,5-trimethylbenzene) for adjusting the OH radical concentration and resulting OH levels in the range (4–300) ×105 molecule cm−3 did not influence the nucleation process itself. The number of detected particles as well as the threshold H2SO4 concentration needed for nucleation was found to be strongly dependent on the counting efficiency of the used counting devices. High-sensitivity particle counters allowed the measurement of freshly nucleated particles with diameters down to about 1.5 nm. A parameterization of the experimental data was developed using power law equations for H2SO4 and H2O vapour. The exponent for H2SO4 from different measurement series was in the range of 1.7–2.1 being in good agreement with those arising from analysis of nucleation events in the atmosphere. For increasing relative humidity, an increase of the particle number was observed. The exponent for H2O vapour was found to be 3.1 representing an upper limit. Addition of 1.2×1011 molecule cm−3 or 1.2×1012 molecule cm−3 of NH3 (range of atmospheric NH3 peak concentrations) revealed that NH3 has a measureable, promoting effect on the nucleation rate under these conditions. The promoting effect was found to be more pronounced for relatively dry conditions, i.e. a rise of the particle number by 1–2 orders of magnitude at RH = 13% and only by a factor of 2–5 at RH = 47% (NH3 addition: 1.2×1012 molecule cm−3). Using the amine tert-butylamine instead of NH3, the enhancing impact of the base for nucleation and particle growth appears to be stronger. Tert-butylamine addition of about 1010 molecule cm−3 at RH = 13% enhances particle formation by about two orders of magnitude, while for NH3 only a small or negligible effect on nucleation in this range of concentration appeared. This suggests that amines can strongly influence atmospheric H2SO4-H2O nucleation and are probably promising candidates for explaining existing discrepancies between theory and observations.

Recent experimental findings indicate that HSO5 radicals may play a key role in the nucleation of atmospheric SO2 oxidation products. HSO5 radicals are metastable intermediates formed in the SO2 oxidation process, and their stability and lifetime are, at present, highly uncertain. Previous high-level computational studies have predicted rather low stabilities for HSO5 with respect to dissociation into SO3+HO2, and have predicted the net reaction HSO3+OH→SO3+HO2 to be slightly exothermal. However, these studies have not accounted for hydration of HSO5 or its precursor HSO3. In this study, we have estimated the effect of hydration on the stability and lifetime of HSO5 using the advanced quantum chemical methods CCSD(T) and G3B3. We have computed formation energies and free energies for mono- and dihydrates of OH, HSO3, HSO5, SO3 and HO2, and also reanalyzed the individual steps of the HSO3+O2→HSO5→SO3+HO2 reaction at a higher level of theory than previously published. Our results indicate that hydration is likely to significantly prolong the lifetime of the HSO5 intermediate in atmospheric conditions, thus increasing the probability of reactions that form products with more than one sulfur atom. Kinetic modeling indicates that these results may help explain the experimental observations that a mixture of sulfur-containing products formed from SO2 oxidation by OH radicals nucleates much more effectively than sulfuric acid taken from a liquid reservoir.

Atmospheric new particle formation is generally thought to occur due to homogeneous or ion-induced nucleation of sulphuric acid. We compare ambient nucleation rates with laboratory data from nucleation experiments involving either sulphuric acid or oxidized SO2. Atmospheric nucleation occurs at H2SO4 concentrations 2–4 orders of magnitude lower than binary or ternary nucleation rates of H2SO4 produced from a liquid reservoir, and atmospheric H2SO4 concentrations are very well replicated in the SO2 oxidation experiments. We hypothesize these features to be due to the formation of free HSO5 radicals in pace with H2SO4 during the SO2 oxidation. We suggest that at temperatures above ~250 K these radicals produce nuclei of new aerosols much more efficiently than H2SO4. These nuclei are activated to further growth by H2SO4 and possibly other trace species. However, at lower temperatures the atmospheric relative acidity is high enough for the H2SO4–H2O nucleation to dominate.

Mechanistic investigations of atmospheric H2SO4 particle formation have been performed in a laboratory study taking either H2SO4 from a liquid reservoir or using the gas-phase reaction of OH radicals with SO2. Applying both approaches for H2SO4 generation simultaneously it was found that H2SO4 evaporated from the liquid reservoir acts considerably less effective for the process of particle formation and growth than the products originating from the reaction of OH radicals with SO2. Furthermore, for NOx concentrations >5×1011 molecule cm−3 the formation of new particles from the reaction of OH radicals with SO2 is inhibited. This suggests that substances other than H2SO4 (potentially products from sulphur-containing peroxy radicals) trigger lower tropospheric new particle formation and growth. The currently accepted mechanism for SO2 gas-phase oxidation does not consider the formation of such substances. The analysis of new particle formation for different reaction conditions in our experiment suggests that a contribution of impurities to the nucleation process is unlikely.

This review mainly focuses on progress recently achieved in the growth of phthalocyanine molecules on single-crystal surfaces of sub-monolayer up to few-monolayer thin films studied by scanning tunneling microscopy in our groups. On metallic surfaces such as Au(111), Ag(111) and Cu(111), molecular superstructures are determined by combining directional intermolecular interactions caused by symmetry reduction, molecule-substrate interactions and indirect long-range interactions due to quantum interference of surface state electrons. On semiconducting TiO2 surface, molecular assembling structures are dictated by the strong molecule-substrate interaction. However, on insulating NaCl film, molecule-molecule interaction dominates over the molecule-NaCl coupling, leading to molecular growth behavior. Knowledge obtained from these studies would help people better understand the physicochemical properties of the phthalocyanine molecules at surfaces so that their new applications could be further explored and uncovered in the future.

A novel, to our knowledge, integrated wavelength-division multiplexing-passive optical net demultiplexer that uses an arrayed-waveguide grating and diffractive optical elements is presented. The demultiplexer is used to distribute 1.3-[[micro]meter] wavelength signals and to multiplex an eight-channel wavelength-division multiplexer spectrum at a 1.55-[[micro]meter] wavelength. The device shows high functionality and good optical performance. The measured cross talk was less than -21 dB, and the 3-dB bandwidth was determined to be 97 GHz, which is close to the theoretical value of 93 GHz. Average losses of 4.5 and 8 dB were measured for the 1.3- and the 1.55-[[micro]meter] signals, respectively.

Absolute calibration of spectral shortwave radiometers is usually performed with National Institute of Standards and Technology (NIST) or NIST-traceable incandescent lamps. We compare 18 irradiance standards from NIST and three commercial vendors using the same spectrometer to assess their agreement with our working standard. The NIST procedure is followed for the 1000-W FEL lamps from NIST, Optronics, and EG&G. A modified calibration procedure developed by Li-Cor is followed for their 200-W tungsten-halogen lamps. Results are reproducible from one day to the next to approximately 0.1% using the same spectrometer. Measurements taken four months apart using two similar but different spectrometers were reproducible to 0.5%. The comparisons suggest that even NIST standards may disagree with each other beyond their stated accuracy. Some of the 1000-W commercial lamps agreed with the NIST lamps to within their stated accuracy, but not all. Surprisingly, the lowest-cost lamps from Li-Cor agreed much better with the NIST lamps than their stated accuracy of 4%, typically within 2%. An analysis of errors leads us to conclude that we can transfer the calibration from a standard lamp to a secondary standard lamp with approximately 1% added uncertainty. A field spectrometer was calibrated with a secondary standard, producing a responsivity for the spectrometer that was within 5% of the responsivity obtained by Langley calibration using routine field measurements.