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In some cases, debris flow consists of low-permeability soils in which run-out distances, velocities and lateral spreading are highly influenced by pore-water pressures. Basal screens are energy dissipation structures designed to reduce these velocities and run-out distances. These structures consist of grids built on horizontal decks where basal pore pressures of debris flows are made equal to the atmospheric pressure, which increases basal friction. Once the debris flows exit the structure, basal pore pressure increases as the basal surface is impermeable again, but the values have been reduced. In order to model these phenomena, it is necessary to use debris flow simulation models considering two phases and pore-water pressures. Here, a depth-integrated two-phase smooth particle hydrodynamics (SPH) model, previously developed by the authors, is improved by including the vertical structure of pore-water pressure. This is done by incorporating finite-differences meshes associated to each SPH node that represents a solid particle. In this way, a higher precision is obtained in describing excess pore pressure along depth, including the influence of vertical consolidation, height variation and changes in basal permeability. The proposed model is applied to describe debris flows with two different ranges of soil permeability propagating over grid structures. The authors have used laboratory tests run at the Norwegian University of Science and Technology and studied the efficiency of the basal grids by comparing cases equipped by them and cases without any obstacle. The results obtained from the proposed numerical experiments suggest that the proposed two-phase coupled model is able to properly reproduce the behaviour of debris flows, describing more accurately the time–space evolution of pore-water pressures during the whole propagation stage, considering both propagation impermeable beds and pore pressure dissipation structures such as grids.

Polymer bonded explosives (PBXs) have high energy density, excellent mechanical properties and better thermal stability. In this study, droplet microfluidic technology was used to successfully prepare HMX/TATB microspheres. The effects of different binder types and binder concentrations on the morphology of the microspheres were studied, and results proved that NC/GAP (1:4) provides particles a regular spherical morphology and good dispersion. Subsequently, the influence of the concentration of the dispersed phase and the flow rate of the continuous phase on the particle size distribution of the microspheres was fully studied. The microspheres had narrow particle size distribution and high spherical shape. Under optimized process conditions, HMX/TATB microspheres were prepared and compared with the physical mixtures. The X-ray diffraction, differential scanning calorimetry, flow properties, bulk density, and mechanical sensitivity of the samples were also studied. Results showed that the crystal form of the microspheres remains unchanged, and the binder maintains good compatibility with explosives. In addition, the fluidity, bulk density, real density and safety performance of the microspheres are remarkably better than the physical mixture. This study provides a new method for preparing PBX with narrow particle size distribution, high spherical shape, excellent dispersion and high bulk density.

Zn0.97Mn0.03S and Zn0.95Mn0.03Cr0.02S nanostructures were synthesized using co-precipitation method. X-ray diffraction analysis confirmed the ZnS cubic phase with preferred orientation along (1 1 1) direction. The shrinkage in crystallite size from 36 A (Zn0.97Mn0.03S) to 26 A (Zn0.95Mn0.03Cr0.02S) and the influence of Cr as well as Mn substitution on the structure and optical nature were examined. The addition of Cr not only diminished the size and also generated more defect related luminescent centres. The elevation in band gap by Cr addition was explained by Burstein–Moss effect and reduced crystallite size. The tuning of transmittance, energy gap as well size of ZnS nanostructure by Mn/Cr doping promote these materials for modern-electronic applications.

Transitions towards low-carbon societies trigger renegotiations of justice concerns in regions that have to abandon unsustainable, fossil-based production patterns. In these transition regions, tensions may appear between inner- and supra-regional justice claims on the one hand, and recognition-based and distributional justice concerns on the other. Intermediary actors such as municipal politicians have to navigate these spatial and moral tensions. Based on qualitative data generated in the German lignite-mining region of Lusatia, ‘moral rifts’ are reconstructed that shape local perceptions of justice. These rifts help elucidate how reconciliation in this region proves to be difficult despite considerable redistributive efforts. Unless patterns of misrecognition are adequately addressed, prospects for a successful transformation of the region remain limited.

Microstructural evolution and strengthening mechanisms of Mg-3Sn-1Ca based alloys with additions of different amounts of AlN nano-particles were investigated. It was found that with increasing the amount of AlN nano-particles the grain size decreases obviously. The existence of AlN nano-particles could refine the primary crystal phases CaMgSn, which provided more heterogeneous nucleation sites for the formation of magnesium. Moreover, such nano-particles could also restrict the grain growth during solidification. After adding AlN nano-particles, both the tensile properties at room temperature and high temperature 250 °C and the hardness are largely improved. The improvement of strength is attributed to grain refinement and second phase refinement.

In this paper, Titanium Dioxide was prepared, from Titanium Isopropoxide (TIP) (C12H28O4Ti) with a purity of 98.1% and acetic acid (CH3COOH) with a purity of 99.5% and ethanol (C2H5OH) with a purity of 99.7%. all these materials are from (Aldrich Chemicals Company) by using the (Sol–gel) method, Then Tio2 was prepared and deposited on glass slides with Spin Coating technology at three different speeds ranging from 1000 to 3000 rpm. a thin film was obtained with a certain thickness according to the speed, as the faster the speed, the less the thickness of the film and vice versa after Completing the sedimentation process, the prepared samples are inserted into a programmed electric oven, The oven starts at room temperature, then stabilizes at 550 °C, for 30 min, Because the anatase phase is formed at this temperature, and then begins to decline for every minute, until it reaches room temperature, and by making optical measurements on the prepared films and matching it with what was prepared in advance, good results were obtained.

Application of CO2 gas in foam enhanced oil recovery (EOR) processes has emerged as a win-win strategy for achieving higher oil recovery factor and reducing greenhouse gas emission, which can significantly help the protection of the ozone layer from depletion. However, lower stability of CO2-foam, as compared to the N2- and CH4-foams, has tempted us to examine combinations of CO2 with these gases to not only improve the stability of the produced foam but also have CO2 as the gaseous phase of the foam. In this study, we investigated the effect of different gases and the mixture thereof on the performance of foams in EOR while the aqueous phase of foams is a constant mixture of Cocamidopropyl betaine surfactant (0.03 wt %) and silica nanoparticle (0.1 wt%). To this end, seven different gases, including N2, CO2, CH4, 80% N2 + 20% CO2, 80% CH4 + 20% CO2, 50% CH4 + 50% CO2, 50% N2 + 50% CO2 were used as the gases phase for foam generation, and the performance of the produced foams were examined through the following experiments: bulk foam stability tests, apparent foam viscosity measurements, and core flooding tests. The results of foam stability tests showed that half-life time for the CO2-, CH4-, and N2-foams are 13.5, 17.0, and 44.0 min, respectively. Also, as revealed from apparent viscosity measurements, the N2- and 80% N2+20% CO2 foams have higher apparent foam viscosity values followed by 50% N2+50% CO2 foam. Furthermore, we showed that a combination of 80% N2 + 20% CO2 as the gaseous phase for foam generation could not only improve CO2-foam stability, as compared to other foams, but also can substantially increase ultimate oil recovery (56.6 %OOIP), even more than that for N2 foam (48.6 %OOIP), obtained from core flooding experiments.

Due to the effective precipitation strengthening effect of the β' phase, Mg-Gd alloys exhibit excellent room temperature mechanical behaviors. However, when served at high temperatures, the metastable β' phase will transform to other phases, resulting in severe performance degradation. In this study, we investigated the effect of precipitation state achieved by different heat treatments on high temperature tensile and creep behaviors of the Mg-15Gd alloy by comparing the properties of the as-cast, solid-solutioned (T4) and peak-aged (T6) alloys. The results showed that the tensile mechanical properties of the T6 alloy were always highest from room temperature to 300 °C, in spite of an abnormal strength increase with temperature existed in the T4 alloy. For tensile creep properties, the T6 alloy exhibited the lowest steady creep rate below 235 °C while the T4 alloy possessed the best properties above 260 °C. Microstructure characterization revealed that the transition was caused by the stress-promoted precipitation of β' phase in the T4 alloy and rapid phase transformation in the T6 alloy at high temperatures. At 260 °C, the calculated stress exponent n was 3.1 and 2.8 for the T4 and T6 alloys, respectively, suggesting the creep deformation mechanism was dislocation slip, which was further confirmed by the microstructure after creeping. Our findings can provide new insights into the heat treatment process of Mg-Gd alloys served at high temperatures.

High-energy-density lithium-sulfur batteries has attracted substantial attention as competitive candidates for large-scale energy storage technologies. Still, the adverse “shuttle effect” and sluggish sulfur conversion reaction kinetics immensely obstruct their commercial viability. Herein, a two-dimensional metallic 1T phase WS2 (1T-WS2) nanosheets modified functional separator is developed to improve the electrochemical performance. Meanwhile, the semiconducting bulk-WS2 crystals, and 2H phase WS2 (2H-WS2) nanosheets with more basal-plane S-vacancy defects are also prepared to probe the contributions of the crystal structure (phase), S-vacancy defects, and edges to the Li–S batteries performance experimentally and theoretically. In merits of the synergistic effect of high ion and electron conductivity, enhanced binding ability to lithium polysulfides (LiPSs), and sufficient electrocatalytic active sites, the 1T-WS2 shows highly efficient electrocatalysis of LiPSs conversion and further improves Li–S battery performance. As expected, thus-fabricated cells with 1T-WS2 nanosheets present superior cycle stability that maintain capacity decline of 0.039% per cycle after 1000 cycles at 1.0 C. The strategy presented here offers a viable approach to reveal the critical factors for LiPSs catalytic conversion, which is beneficial to developing advanced Li–S batteries with enhanced properties.

Solar energy is one of the elements that have been used as a resource in the green energy field. Hydrogen, as an energy carrier, can be produced from many kinds of sources, including solar energy. Here, we present two-dimensional (2D)perovskite material derived from the Dion-Jacobson phase (DJ), Ca2Nan-3NbnO3n+1- (CNNO−) nanosheets, with the number of layer n = 4–6 synthesized via microwave-assisted hydrothermal method. The starting material KCa2Nb3O10 (KCNO) is made from two methods. The solid-state calcination KCNO product has more than two-phase, while the molten-salt synthesis produces a well cubic KCNO crystalline. TThe thickness of the 2D CNNO− nanosheets is increasing, in dependence on the n value. Meanwhile, the estimated optical band gap is decreasing, in dependence on the n value. 2D CNNO− nanosheets show the absorbance under ultraviolet (UV) light, which confirms their semiconducting nature. The capability of these 2D nanosheets to generate hydrogen is presented via photo-electrochemical (PEC) water splitting. The molten-salt fabricated CNNO− nanosheets CNNO6 shows better performance with the highest efficiency ɳ up to 0.110% when applied to the PEC device.

s Flower-like BiOI and Bi5O7I photocatalysts were synthesized by a microwave-assisted solvothermal process and then calcined at various temperatures. The effects of calcination temperature on the phase structure, crystal property, morphology, color, optical property, and activity of the photocatalysts were investigated. As the calcination temperature increased, a blue shift was observed in the diffuse reflection spectra and the band gap increased. After the calcination treatment at 500 °C, the XRD, Raman spectra, and TEM results confirmed that BiOI transformed to Bi5O7I. Although flower-like microspheres still existed, the shapes of building blocks changed from lamellar nanoplates to thick twisted stripes when the BiOI transformed to Bi5O7I. BiOI with a calcination treatment at 300 °C exhibits an improved H2 production activity of 1373 μmol g−1 h−1. The XRD spectra reveal that the B-400 photocatalyst was a Bi5O7I-rich and BiOI-deficient composite material. Fewer Bi5O7I–BiOI interfaces and lower light absorption may be the reasons why the B-400 photocatalyst with Bi5O7I–BiOI compositions did not exhibit higher activity than B-300 (pure BiOI) and B-500 (pure Bi5O7I) photocatalysts.

The heterogeneous magnesium (Mg) matrix nanocomposite with dispersed soft phase exhibits high strength and toughness. Herein, the deformation behavior and failure process were investigated to reveal the unique mechanical behavior of the heterogeneous microstructure under compression. The extensive plastic deformation is accompanied by the flattening and tilting of the soft phase, inhibiting strain localization and leading to strain hardening. Moreover, a stable crack multiplication process is activated, which endows high damage tolerance to the heterogeneous Mg matrix nanocomposites. The final failure of the composite is caused by crack coalescence in the shear plane along a tortuous path. The presence of dispersed soft phases within the hard matrix induces a noticeable change in mechanical response. Especially, the malleability of the heterogeneous Mg matrix nanocomposite is two and ten times higher than that of pure Mg and the homogeneous Mg matrix nanocomposite, respectively. The current study provides a novel strategy to break the trade-off between strength and toughness in metal matrix nanocomposites.

Here, we report a series of Bi3+-doped Ba2Y1–xScxNbO6 (0 ≤ x ≤ 1.0 mol) phosphors by using the traditional high temperature solid-state reaction. To achieve the structural and photoluminescent (PL) information, several experimental characterizations and theoretical calculations are carried out, including X-ray diffraction (XRD), Rietveld refinement, UV-visible diffuse reflectance and PL spectra, temperature dependent PL spectra, and density functional theoretical (DFT) calculations. The XRD results show that the Bi3+-doped Ba2Y1–xScxNbO6 samples belong to the double-perovskite phase with a cubic space group of Fm3m, and the diffraction positions shift toward high diffraction angle when the larger Y3+ ions are gradually replaced by the smaller Sc3+ ions. In addition, the refined XRD findings show that the Bi3+ ions tend to substitute the Y3+ and Sc3+ sites in the Bi3+-doped Ba2Y1–xScxNbO6 (0

In this work, the kinetics of the growth of austenite grains upon heating, the features of the processes of dynamic and static recrystallization occurring at various temperature-deformation modes of plastic deformation are investigated. Phase transformations have been studied during continuous cooling of hotdeformed austenite in low-alloy “Arc”-steel with a yield point of at least 420 MPa. The studies carried out made it possible to determine the thermal deformation parameters that ensure the formation of a finely dispersed homogeneous ferrite-bainitic structure, on the basis of which technological recommendations for industrial production were developed and sheet products were manufactured. Presented are the structure and properties of sheet metal from shipbuilding “Arc”-strength category 420 MPa.

The obtaining of BiFeO3 in the form of a thin film represents a critical issue for its application in electronic devices since this is the required geometry for the integration of this material in microelectronic circuits. There are several techniques for this purpose, from those that use a gas or plasma phase to transport the precursors to the substrate, which would be included within the PVD or CVD techniques (for its acronym Physical Vapor Deposition and Chemical Vapor Deposition) to those that use a phase liquid for this transport, which would be included under the CSD (Chemical Vapor Deposition) techniques. However, among the large number of published papers, there is much controversy about which of them would be most suitable. It has been clearly demonstrated that all of them have the sufficient capacity to produce uniform and homogeneous thin films in thickness throughout the entire substrate, and although in many articles pure BiFeO3 films have been obtained with an exploitable functional response, others have reported the typical drawbacks that usually entails the obtaining this material: appearance of secondary phases, high leakages or a poor functional response. Nevertheless, there is a common aspect in the specialized literature that seems to be in agreement: the first group of techniques require very sophisticated equipment that involves high energy consumption in terms of temperature and pressure (vaccum), while the techniques that are based on solutions are characterized by their higher simplicity. In this context, the purpose of the present review is to summarize the main aspects of each technique in the obtaining of BiFeO3 thin films, from those that are more sophisticated to the simplest and environmentally benevolent ones, in order to provide an easier understanding of them.

The fundamental understanding of the effects of rare earth (RE) on the phase transformation of Fe-based alloys is essential in the development of advanced RE-containing high strength steels. In this work, we investigated the effects of La and Ce on the martensitic phase transformation of Fe in terms of the driving force and minimum energy path (MEP) using the first-principles calculations. The calculations of formation energy show that the RE substitution increases the stabilization of fcc-Fe and decreases that of bcc-Fe, thus decrease the driving force of phase transformation. Meanwhile, the analysis based on the generalized solid-state nudged elastic band (G-SSNEB) method indicates that in the RE-containing systems, an additional energy barrier appears when the phase transformation proceeds along the Bain transition path to c/a ratio of 1.14 in the FM state, which is associated with a sudden decrease in magnetization due to the hybridization between the orbitals of the RE atoms and those of the nearest neighbor Fe atoms. The results of potential-energy surfaces (PES) confirm that magnetic ordering and lattice volume change simultaneously with the Bain transition, and in comparison with pure Fe, the variation between the onset and the end structural volumes of the phase transformation is slight for the RE-containing Fe systems.

ZrB2–SiC–HfB2–WC coating applied by spark plasma sintering led to the ablation resistance improvement of graphite substrate. The influence of HfB2/WC ratio was investigated on the ablation resistance produced by an oxyacetylene flame. The microstructural evolutions and phase characterization were studied using scanning electron microscopy and X-ray diffraction, respectively. It is confirmed that the ablation resistance of sample with 5% WC and 2.5% HfB2 was significantly increased with minimum ablated materials and rate of 1.1% and 2.2 mg s−1 employing the results of oxyacetylene flame test. The important mechanisms of improvement of the ablation resistance were the evaporation of WO3 and SiO upon oxidation of SiC and WC in the coating.

The long-period stacking ordered phases (LPSOs) in Mg−Ni−Y system have been attracting great interest as effective strengthening components because of their unique structural characteristics and deformation mechanism. However, the phase relationships in LPSOs are complicated and unclear, which restricts the design of advanced magnesium-based alloys. The aim of the present work is to experimentally determine the phase equilibria relationships focusing on LPSOs and establish the thermodynamic description for Mg−Ni−Y system. Four types of LPSOs, that is, 14H, 12R, 18R and 10H, are confirmed through equilibrated alloys and high-resolution transmission electron microscopy (HR-TEM). The formation enthalpies of LPSOs (14H, 12R, 18R and 10H) are calculated based on density functional theories (DFT) calculations. A new ternary compound, termed as τ phase, is observed for the first time which is likely to be the distorted structure of 12R as determined from the TEM image which shows a 12-layer closed packing plane distance of 3.252 nm and a shear angle of 83.2° between (0002) and (10 1 ¯ 0) planes. Based on the determined phase equilibria relationship, the Mg−Ni−Y system is assessed and a self-consistent description is obtained where the LPSOs are modeled as the stoichiometric compounds. The comparison between the calculation result and experimental data suggests the accuracy of the present thermodynamic database in the Mg-rich corner.

The microstructure of primary Mg 2 Si and the interface of Mg 2 Si / α -Mg modified by Sn and Sb elements in an as-cast Mg-5Sn-2Si-1.5Al-1Zn-0.8Sb (wt.%) alloy were investigated. In the primary Mg 2 Si phase not only the Si atoms but also the Mg atoms could be substituted by Sn and Sb atoms, resulting in the slightly reduced lattice constant a of 0.627 nm. An OR of Mg 2 Si phase and α -Mg in the form of [ 001 ] Mg 2 Si ∥ [ 01 1 ¯ 1 ] α , ( 220 ) Mg 2 Si ∥ ( 0 1 ¯ 12 ) α was discovered. Between primary Mg 2 Si phase and α -Mg matrix two transitional nano-particle layers were formed. In the rim region of primary Mg 2 Si particle, Mg 2 Sn precipitates sizing from 5 nm to 50 nm were observed. Adjacent to the boundary of primary Mg 2 Si particle, luxuriant columnar crystals of primary Mg 2 Sn phase with width of about 25 nm and length of about 100 nm were distributed on the α -Mg matrix. The lattice constant of the Mg 2 Sn precipitate in primary Mg 2 Si particle was about 0.756 nm. Three ORs between Mg 2 Sn and Mg 2 Si were found, in which the Mg 2 Sn precipitates had strong bonding interfaces with Mg 2 Si phase. Three new minor ORs between Mg 2 Sn phase and α -Mg were found. The lattice constant of primary Mg 2 Sn phase was enlarged to 0.813 nm owing to the solution of Sn and Sb atoms. Primary Mg 2 Sn had edge-to-edge interfaces with α -Mg. Therefore, the primary Mg 2 Si particle and α -Mg were united and the interfacial adhesion was improved by the two nano-particles layers of Mg 2 Sn phase.

The assumption that the gas is a connected phase leads to underestimation of the gas pressure in municipal solid waste (MSW) landfills. In this study, the high gas pressure is shown, by way of field investigations and laboratory experiments, to be caused by foam in the landfills. The field investigations indicated that environmental disasters that have occurred at several landfills in China were caused by high gas or pore pressures. During drilling in these landfills, it was found that a mixture of foam and leachate was ejected from the borehole. The laboratory experiments indicated that foam generation in the landfills was attributable to the two-stage anaerobic biodegradation behaviours of MSWs. Volatile fatty acids (VFAs) decreased the surface tension of the leachate, enabling it to generate foam. The foam's composite index was adopted to evaluate foaming ability and foam stability of the leachate. Meanwhile, the liquid film in the foam divided the gas into a disconnected phase and remarkably increased its flow resistance. An experimental apparatus was designed to compare quantitatively the flow resistances of foam and gas in MSWs. When the foam and gas were injected into a saturated waste column at the same rate, the pressure drop of the foam (412 kPa) was 2·54 times that of the connected-phase gas (162 kPa), thereby resulting in lower residual liquid saturation for foam displacement. The unsaturated permeability coefficient of the foam was about an order of magnitude lower than that of the gas. Owing to the low permeability of waste to foam and continuous gas generation, high gas pressures are easily developed in wet landfills.

The solution behavior of a second element in the primary phase (α(Mg)) is important in the design of high-performance alloys. In this work, three sets of features have been collected: a) interaction features of solutes and Mg obtained from first-principles calculation, b) intrinsic physical properties of the pure elements and c) structural features. Based on the maximum solid solubility values, the solution behavior of elements in α(Mg) are classified into four types, e.g., miscible, soluble, sparingly-soluble and slightly-soluble. The machine learning approach, including random forest and decision tree algorithm methods, is performed and it has been found that four features, e.g., formation energy, electronegativity, non-bonded atomic radius, and work function, can together determine the classification of the solution behavior of an element in α(Mg). The mathematical correlations, as well as the physical relationships among the selected features have been analyzed. This model can also be applied to other systems following minor modifications of the defined features, if required.

The as-solution-treated Sm2Co17-type magnets exhibiting a single 1:7H phase with different average grain sizes (D) are designed. Anisotropy of bending strength (Rbb) and compressive strength (Rmc) of the magnets was investigated. Moreover, the Rbb increases from 86 to 173 MPa with D decreasing from ∼52 to ∼18 μm for group c//h samples. The Hall-Petch correlation was employed to reveal the effect of grain size on mechanical properties of the magnets, giving deep understand the mechanical anisotropy characteristics. The relatively high Hall-Petch coefficient KRbb (0.79 MPa·m1/2) gives rise to the largest Rbb (173MPa) for group c//h samples. The mechanical anisotropy of the samples is well explained based on crystal structure and grain size features (grain boundaries). Grain refinement is an effective way to enhance the mechanical properties of Sm2Co17-type sintered magnets.

Low cost and high abundance rare earth elements Y and Ce have attracted tremendous interests of the industrial and scientific societies for fabricating the highly cost-performance efficient rare earth permanent magnets. However, the effect of separate replacement of Nd by Y or Ce on the performances of NdFeB-type magnet under the same atomic ratio and preparation conditions is still unclear. In this work, we systematically investigated the magnetic properties, thermal stabilities and service performances of (Nd0.8Y0.2)13.80FebalAl0.24Cu0.1B6.04 (at%, 20Y) and (Nd0.8Ce0.2)13.80FebalAl0.24Cu0.1B6.04 (at%, 20Ce) magnets. The results demonstrate that the μ0Mr, μ0Hc and (BH)max of 20Y magnet are respectively 1.325 T, 1.173 T and 343.467 kJ/m3, which are comprehensively higher than those of 20Ce magnet (μ0Mr = 1.310 T, μ0Hc = 0.948 T, (BH)max = 321.105 kJ/m3). Moreover, the 20Y magnet has higher thermal stability compared with 20Ce magnet which is favorable for the magnetic performances at elevated temperatures. The investigation of microstructure and elemental distribution indicates that the excellent magnetic performances of NdY-Fe-B magnet can be attributed not only to the preferable intrinsic properties 4πMs, Ha and Tc of Y2Fe14B, but also to the in-situ core-shell structure of the 2:14:1 matrix phase grain with Y-rich core and Nd-rich shell, along with the thicker grain boundary layer between the adjacent matrix phase grains in NdY-Fe-B magnet. Furthermore, the 20Y magnet exhibits better mechanical property and higher corrosion resistance than 20Ce magnet, which are helpful for prolonging the service life of the magnet in practical application.

β-titanium shape memory alloys are used as shape memory-based biomedical applications and superelastic materials because they are made up of non-toxic components. Also, their behaviors are more semilar with that of human bone and dental biological tissues, such as biocompatibility, superior corrosion resistance, low density, and low modulus of elasticity. In the current study, the effect of Ta additive on the physical properties of Ti-Nb alloy has been investigated. Ti-Nb-Ta alloy samples were produced such that the Tantalum (Ta) element was substituted instead of Niobium (Nb), and the induction arc melting was used to melting the mixed powders. To investigate the crystal structure, microstructure, and phase transformation temperatures of all samples, the X-Ray Diffraction (XRD), Scanning Electron Microscopic (SEM), and Diffraction Scanning Calorimetry (DSC) measurements have been used. Both β-rich and α peaks were observed in the XRD and SEM measurements. Also, the DSC results revealed that the Ti-Nb-Ta alloys have only austenite transformation temperatures and their phase austenite phase transformation were decreased by the effect of Ta additive, additionally, the enthalpy change in〖 E〗_3 sample ( Ti_75.5 Nb_22.5 Ta_2 (%at)) has the highest value, while E_4 sample ( Ti_75.5 Nb_21.5 Ta_3 (%at)) has the lowest respective value.

The simulation of granular soils partially saturated by two immiscible fluids – say, water and air – has long been restricted to the so-called ‘pendular regime’, in which the wetting phase (i.e. water in air/water systems) is discontinuous and its presence is restricted to bridges connecting grain pairs. In this work the pendular model is combined with the recently developed two-phase pore-scale finite volumes (2PFV) method for the first time in order to simulate complete drainage from a saturated state to a residual pendular state. The contribution of pendular bridges in terms of water retention and induced internal stress is examined. It is shown that although the presence of a bridge does not significantly affect the soil water retention curve, its induced stress indeed plays a major role in the capillary effects for low saturation (lower than 0·10).

In this work, nonisothermal dissolution of intermetallic Mg17Al12 in Mg-Al alloy has been firstly studied via Differential Scanning Calorimetry-DSC, X-Ray Diffraction-XRD and Scanning Electron Microscope-SEM as well as CALPHAD_based dissolution models and molecular dynamics simulation. The size and volume fraction of Mg17Al12 phase could be predicted via the present kinetic dissolution model and agree well with experimental results. Also, the data-driven screening calculation shows that there is a range of temperature for significantly dissolving Mg17Al12 phase, which could be increased with the increase of heating rate. The evolution of structural order for Mg17Al12 phase has also been performed via molecular dynamics simulation with LAMMPS. The simulated results indicate that the structural order of Mg17Al12 phase during heating is mainly affected by the Al-contained atomic pairs (Al-Al and Al-Mg), suggested that Mg atoms are thermodynamically and kinetically more active than Al atoms in Mg17Al12 phase during heating, which has also been approved via the calculated atomic mobility of Mg and Al atoms in Mg17Al12 phase in this work. Therefore, the atomic mobility of Mg atoms is mainly attributed to the interdiffusion coefficient of Mg17Al12 phase which determines the dissolution of Mg17Al12 phase during heating. The fundamental principle in this work could be used for other intermetallics and offers the greatly valuable information for optimizing the thermal processing in application of metal structural materials.

Economical alumina precursors, derived from bauxite or nepheline ores, were calcined through a very short time process. Results showed that phases of the precursor are a key parameter on the flash calcination process. The number of structural water molecules is the dominant phenomenon. A porous and fine structure of activated alumina was developed as the hydroxyl groups are explosively driven off and establish a hydrothermal condition. The presence of gibbsite phase with larger particle size and most structural water molecules has better product properties in comparison of other alumina precursors phase with small particle size because water vapor pressure achieves a critical value for splitting particles and developing nucleation desirable phases. The changes rate of properties reaches to its maximum value for gibbsite phase at lower calcination temperature. FESEM images showed the precursor phase forms different morphologies of products like, nanodimensional, a coral-like co-continuous or loose particles surrounded with macropores.

The booming development of DIW technology present an unprecedented prospect in energetic materials field and has attracted great interest due to its relative simplicity and high flexibility of manufacturing. Herein, a novel CL-20 based explosive ink formulation have been developed successfully for MEMS initiation systems via DIW technology. We designed PVA/GAP into an oil-in-water(O/W)emulsion, in the way that the aqueous solution of PVA as water phase, the ethyl acetate solution of GAP as oil phase, the combination of Tween 80 and SDS as emulsifier, BPS as a curing agent of GAP. The ideal formulation with good shear-thinning rheology properties and clear gel point was prepared using only 10 wt% emulsion. The dual-cured network formed during the curing process made the printed sample have good mechanical properties. The printed samples had satisfactory molding effect without cracks or fractures, the crystal form of CL-20 not changed and the thermal stability have improved. Deposition of explosive inks via DIW in micro-scale grooves had excellent detonation performances, which critical detonation size was 1 × 0.045 mm, detonation velocity was 7129 m/s and when the corner reaching 150° can still detonated stably. This study may open new avenues for developing binder systems in explosive ink formulations.

Al-6.0Mg-0.3Sc alloy deposits are prepared by means of a double-wire arc additive manufacturing process. The formation, porosity, metallographic structure, type of precipitated phase, and mechanica...

Over the past decade, the cast aluminum alloys with excellent mechanical and conductivity properties have emerged as potential materials for thermal management. However, the traditional Al-Si based alloys are difficult to make significant breakthroughs in conductivity performance. The hypoeutectic Al-5Ni alloy also possesses sound castability and is expected to be applied in thermal management applications. In this study, the effects of ytterbium (Yb element) at 0.0–0.5 wt% on the microstructures as well as the electrical/thermal conductivity and mechanical properties of the Al-5Ni alloy was systematically investigated. The experimental results indicate that the addition of Yb at a relatively low amount not only reduces the secondary dendrite arm spacing of the α-Al grains, but also modifies the morphology and distribution of eutectic boundary phase. Moreover, it is found that the dosage of Yb at 0.3 wt% in the Al-5Ni alloy can simultaneously improve the yield strength, ultimate tensile strength and electrical/thermal conductivity. The strengthening and toughening of the Al-5Ni alloy are mainly attributed to the decrease of secondary dendrite arm spacing and the improvement of eutectic phases. The TEM/SAED analysis indicates that the ytterbium in Al-5Ni alloy would form Al3Yb phase, which mainly agglomerates in the Al3Ni phase region. This phase is helpful to decrease the solubility of impurity elements (e.g., Fe and Si) in the α-Al matrix, which is beneficial to electrical/thermal conductivity. The value of this study lays foundation for manufacturing Al-Ni alloys with high thermal conductivity and acceptable mechanical properties.

This study investigates the synthesized NiO- and CuO-based carriers supported by Al2O3, CeO2, ZrO2 and their combinations in chemical looping combustion (CLC). The oxygen carriers were tested in a thermogravimetric analyzer (TGA), where the results showed that the oxygen capacity increased using mixed support oxides in both NiO-based and CuO-based samples. The reducibility of CeO2 played a role in the increase of oxygen capacity and in the case of NiO-based samples, the reduction of NiAl2O4 phase as promoted by the formation of CeAlO3 played a role, as well. For NiO-based samples, a significant increase of carbon deposition occurred for mixed support oxides (Al2O3-ZrO2, Al2O3-CeO2 and Al2O3-ZrO2-CeO2) at 750 °C in comparison with the use of one support while the differences were negligible at 950 °C. To examine the structure and properties of the oxygen carriers, they were characterized by XRD, SEM/EDX and XPS. Comparison of fresh and used samples revealed sintering of active-sites particles on the surface of supports as evident of EDX mapping images and the decrease in active-site to support ratio in the XPS analysis. NiO/Al2O3-ZrO2-CeO2 was found to be a potential oxygen carrier for further CLC studies and scaleup.

The construction of rich phase interfaces to increase active reaction area in hybrid materials is an excellent strategy to improve electrochemical performance. Under this guideline, MIL-101@OX-metal organic framework (MOF) is constructed by the "MOF on MOF" method, then converts to MIL-101@NiFe-layered double hydroxides (LDH) by in situ transformation in alkaline solution. MIL-101@NiFe-LDH shows excellent electrochemical water oxidation performance. It needs only an overpotential of 215 mV to drive 10 mA/cm2 of oxygen evolution reaction (OER), which is less than that of NiFe-LDH, MIL-101. In addition, MIL-101@NiFe-LDH has the smallest Tafel slope (55.1 mV/dec) compared with NiFe-LDH (61.1 mV/dec), MIL-101 (150.8 mV/dec). The excellent water oxidation activity is due to the high phase interfaces derived from high specific surface area of MOF. This work offers an alternative method for making MOF/LDH heterostructures with an optimized phase interfaces and provides new insights for OER.

Hydrogen evolution reaction (HER) catalytic electrodes under actual working conditions show interesting mass transfer behaviors at solid (electrode)/liquid (electrolyte)/gas (hydrogen) three-phase interfaces. These behaviors are essential for forming a continuous and effective physical contact region between the electrolyte and the electrode and require further detailed understanding. Here, a case study on 1T-2H phase molybdenum disulfide (MoS2)/carbon fiber paper (CFP) catalytic electrodes is performed. Rapid gas-liquid mass transfer at the interface for enhancing the working area stability and capillarity for increasing the electrode working area is found. The real scenario, wherein the energy utilization efficiency of the as-prepared non-noble metal catalytic electrode exceeds that of the noble metal catalytic electrode, is disclosed. Specifically, a fluid dynamics model is developed to investigate the behavior mechanism of hydrogen bubbles from generation to desorption on the catalytic electrode surface with different hydrophilic and hydrophobic properties. These new insights and theoretical evidence on the non-negligible three-phase interface behaviors will identify opportunities and motivate future research in high-efficiency, stability, and low-cost HER catalytic electrode development.

Plasma focused ion beam microscopy (PFIB) is a recent nanofabrication technique that is suitable for site-specific atom probe sample preparation. Higher milling rates and fewer artifacts make it superior to Ga+ FIBs for the preparation of samples where large volumes of material must be removed, for example, when trying to avoid lift-out techniques. Transmission Kikuchi diffraction (TKD) is a method that has facilitated phase identification and crystallographic measurements in such electron transparent samples. We propose a procedure for preparing atom probe tomography (APT) tips from mechanically prepared ribbons by using PFIB. This is highly suitable for the preparation of atom probe tips of interfaces such as interphase boundaries from challenging materials where lift-out tips easily fracture. Our method, in combination with TKD, allows the positioning of regions of interest such as interfaces close to the apex of the tip. We showcase the efficacy of the proposed method in a case study on Alloy 718, where the interface between γ-matrix and δ-phase has not been yet extensively explored through APT due to preparation challenges. Results show depletion of γ″-precipitates near the γ/δ interface. A quantitative evaluation of the composition of phases in the bulk versus near the interface is achieved.

Hydrated cement is one of the complex composite systems due to the presence of multi-scale phases with varying morphologies. Calcium silicate hydrate (C–S–H), which is the principal binder phase in the hydrated cement, is responsible for the stiffness, strength, and durability of Portland cement concrete. To understand the mechanical and durability behavior of concrete, it is important to investigate the interactions of hydrated cement phases with other materials at the nanoscale. In this regard, the molecular simulation of cement-based materials is an effective approach to study the properties and interactions of the cement system at the fundamental scale. Recently, many studies have been published regarding atomistic simulations to investigate the cement phases to define/explain the microscopic physical and chemical properties, thereby improving the macroscopic performance of hardened binders. The research in molecular simulation of cementitious systems involves researchers with multidisciplinary backgrounds, mainly in two areas: (1) cement chemistry, where the hydration reactions govern most of the chemical and physical properties at the atomic scale; and (2) computational materials science and engineering, where the bottom-up approach is required. The latter approach is still in its infancy, and as such, a study of the prevailing knowledge is useful, namely through an exhaustive literature review. This state-of-the-art report provides a comprehensive survey on studies that were conducted in this area and cites the important findings.

In this work, an economical, surfactant-free and scalable solution synthesis method at room temperature for self-decorated copper selenide (Cu2-xSe) nanosheets is reported. Structural and morphological characterizations clearly revealed the formation of single cubic phase Cu2-xSe nanosheets in nearly stoichiometric ratio. The tentative mechanism for fabrication of self-decorated Cu2-xSe nanosheets was proposed. Furthermore, nanostructured bulk Cu2-xSe by hot pressing was explored for thermoelectric performance. High electrical conductivity (1.1 × 105 S/m), moderate Seebeck coefficient (87 μV/K) and low thermal conductivity (1.11 W/mK) at 753 K were obtained. The figure of merit (ZT) ~ 0.56 and power factor (PF) ~ 860 μW/mK2 at 753 K showed better performance than some reported Cu2-xSe nanostructured or bulk counterparts under same temperature. Also, theoretically device ZT ~0.16 and efficiency up to 3% could be achieved. The results indicate that this green and novel synthesis process is an alternative to other reported time or energy consuming processes.

The lunar surface is a typical vacuum environment, and its harsh heat rejection conditions bring great challenges to the thermal control technology of the exploration mission. In addition to the radiator, the sublimator is recommended as one of the promising options for heat rejection. The sublimator makes use of water to freeze and sublimate in a porous medium, rejecting heat to the vacuum environment. The complex heat and mass transfer process involves many physical phenomena such as the freezing and sublimation phase change of water in the porous medium and the movement of the phase-change interface. In this paper, the visualized ground-based experimental approaches of space sublimation cooling were presented to reveal the moving law of three-phase point and the growth phenomenon of ice-peak and icicle in microchannels under vacuum conditions. The visualized experiments and results prove that the freezing ice is divided into the porous ice-peak and the transparent icicle. As the sublimation progresses, the phase-change interface moves downward steadily, the length of the ice-peak increases, but the icicle decreases. The visualized experiments of space sublimation cooling in the capillary have guiding significance to reveal the sublimation cooling mechanism of water in the sublimator for lunar exploration missions.

The kinetics of the thermally induced glass / crystal phase transformation of chalcogenide glasses plays an important role in determining their candidacy for optical phase change memory applications. The rate of crystallization and the corresponding activation energy are the two crucial kinetic parameters that reflect the durability and quality (i.e., storage properties) of phase change materials. This script deals with metal-induced effects on thermally regulated non-isothermal crystallization in a new glass alloy of Se-Te-Sn using calorimetric measurements. The elements Antimony (Sb), Cadmium (Cd) and Indium (In) have been used as structural modifiers for this purpose. The crystallization and glass transition kinetics of these glass alloys have been investigated by thermal analysis of several kinetic parameters such as the parameter of order n, the maximum crystallization temperature Tc, the crystallization rate K and the consequent activation energy Ec). A DSC is used in non-isothermal mode for the present studies. The values of the activation energy Ec are determined using the data obtained from the displacement of the exothermic peaks of crystallization in non-isothermal DSC plots at various heating rates. The role of the additives Sb, Cd and In in the variation in the rate of crystallization K of and the Avrami index (n) for each glass alloy is also examined. Detailed thermal analysis of the kinetic data confirms the superiority of Cd over the other two additives (In and Sb) for optimization of the kinetic properties of the main SeTeSn glass.

The work addresses to the study of the molecular and crystal structure and properties of a new energy-intensive compound 3,6-bis(2,2,2-trinitroethylnitramino)-1,2,4,5-tetrazine (NBTAT), first obtained by the authors in 2020. NBTAT compound crystallizes in the monoclinic system, space group P2(1)/n, density at room temperature 1.939 g/cm3. The energies of crystal packing and pairwise intermolecular interactions in NBTAT and its unnitrated analogue BTAT were calculated, and their comparative analysis was carried out. The enthalpy of formation of NBTAT molecules was calculated by quantum-chemical methods using Gaussian 09, and the enthalpy of formation of NBTAT in the solid phase (618 kJ/mol) was estimated. The energy capabilities of NBTAT as an oxidizer of solid composite propellants are estimated. It is shown that in metal-free compositions NBTAT is significantly superior to ammonium perchlorate (AP), dinitramide ammonium salt (ADN), HMX, BTAT at all stages of rocket systems, and is comparable to the superdense CL-20 yielding to the latter at the lower stages and slightly winning at the upper stages.

The effects of erbium addition on the rheological properties and microstructure of a semisolid A356 alloy were studied. The semisolid slurries were prepared through the serpentine channel technique before they were thixoformed using parallel-plate compression with cylindrical discs. The grain and globule size decreases as the Er content increases, resulting in an improved and uniform distribution of spherical primary α-Al phase within the semisolid slurry. The addition of the Er modifies the grain morphology and size of the α-Al grains, resulting in a better and more uniform distribution of spherical primary α-Al phase within the semisolid slurry. As a result, rheocast quality index increases with the addition of Er, which is suitable for the thixoforming process. The A356 alloy without Er has the highest viscosity herein. The viscosity decreases, and the flow characteristics of the semisolid feedstock are expected to improve when Er is added as a result of the refinement of primary α-Al and modification of eutectic silicon. Furthermore, the refined semisolid A356 alloys with Er show a slightly larger fraction of high-angle grain boundaries compared to that for the unrefined alloy.

In this work, thermodynamic and kinetic factors that affect formation and phase transformation process of different solid forms of levofloxacin hydrochloride were investigated in detail. Dynamic vapor sorption experiments (DVS) and varying temperature-powder X-ray diffraction (VT-PXRD) experiments were carried out to study moisture-dependent stability, thermal stability as well as the transformation process between Form I and Form II. Critical water activities of levofloxacin hydrochloride were determined in temperature range of 5.0–45.0 °C. Raman spectroscopy was applied to in situ monitor the temperature-induced phase transformation and the hydration process of levofloxacin hydrochloride, and one possible mechanism consisting of multiple chemical equilibria was proposed to analyze the effect of thermodynamic and kinetic factors on the formation and transformation of different solid forms. Results show that the anhydrate, Form II would transform to the monohydrate, Form I more easily with the increasing water content. And the transition point moves toward higher water contents as the temperature increases. The results suggested that, except for thermodynamic factors, kinetic factors also play an essential role in controlling the solid forms of polymorphic compounds.

In this study, molten salt was used as a solvent for calcium (Ca) to let a reduction-diffusion (R-D) reaction occur below the melting point of Ca (1115 K), which is the lower limit temperature of the conventional R-D process. When the R-D reaction is conducted below 923 K with LiCl molten salt, submicron-sized TbCu7-type Sm–Fe powder is formed. The c/a ratio of the powder estimated by a synchrotron X-ray diffraction pattern is 0.8456, which is consistent with the Sm0.67Fe5.667(SmFe8.5) phase. An electron backscatter diffraction analysis reveals that single-crystalline TbCu7-type SmFe8.5 powder was synthesized for the first time.

To analyze if the HDS activity is the result of contributions of both CoMoS and cobalt sulfides phases, a series of CoMo/Al2O3 catalysts with increasing Co/(Co+Mo) ratios (r = 0.1, 0.2, 0.3 and 0.4) prepared by simultaneous impregnation, and composites formed with the CoMo/Al2O3 catalysts and Co/Al2O3, were tested in the hydrodesulfurization of dibenzothiophene. The catalysts were characterized by UV-Visible-NIR and infrared of adsorbed CO spectroscopies. The results showed that the amount of CoMoS adsorbing sites remains basically the same in the series of promoted catalysts, while an increase of the precursor of cobalt sulfide is observed. The activity experiments showed that the addition of Co/Al2O3 to Mo/Al2O3 or CoMo/Al2O3 catalysts promotes both the MoS2 and CoMoS phases, and that the rate constants of CoMo/Al2O3 r=0.2 and CoMo/Al2O3 r=0.3 can be closely reproduced with composites of CoMo/Al2O3 r=0.1 with different amounts of Co/Al2O3, indicating that the increased activity in the series of Co-promoted catalysts is related to the presence of cobalt sulfide. It was evidenced that Co-promoted catalysts are complex systems in which several surface species contribute to the global hydrodesulfurization activity and that cobalt sulfide, far from being a spectator in HDS catalysis, has in fact a secondary but significant role in the global performance of industrial-type CoMo/Al2O3 hydrodesulfurization catalysts. All these contributions must be optimized to obtain highly active and selective hydrodesulfurization catalysts.

Particle size and content of RDX are the two main factors that affect the burning stability of RDX-based propellants. However, these effects and the corresponding mechanisms are still controversial. In this work, we investigated the physicochemical processes during burning and the corresponding mechanisms through the technologies of structure compactness analysis on the base of voidage measurement and theoretical interfacial area estimation, apparent burning rate measurement using closed vessel (CV) and extinguished burning surface characterization relying on interrupted closed vessel (ICV) and scanning electron microscope (SEM). The results indicate that the voidage increased with the increase of RDX content and particle size due to the increasing interfacial area and increasing interface gap size, respectively. The apparent burning rate increased with the increase of RDX particle size because of the decreasing RDX specific surface area on the burning surface, which could decrease the heat absorbing rates of the melting and evaporation processes of RDX in the condensed phase. Similarly, the apparent burning rate decreased with the increase of RDX content at pressures lower than around 55 MPa due to the increasing RDX specific surface area. Whereas, an opposite trend could be observed at pressures higher than around 55 MPa, which was attributed to the increasing heat feedback from the gas phase as the result of the increasing propellant energy. For propellants containing very coarse RDX particles, such as 97.8 and 199.4 μm average size, the apparent burning rate increased stably with a flat extinguished surface at pressures lower than around 30 MPa, while increased sharply above around 30 MPa with the extinguished surface becoming more and more rugged as the pressure increased. In addition, the turning degree of u-p curve increased with the increase of coarse RDX content and particle size, and could be reduced by improving the structure compactness.

To produce nanocomposite materials with high magnetic properties, studies concerning on nanostructural processing technologies and control mechanisms are urgently required in aspects of achieving perfect alignment of the hard phase while keeping desired sizes and distributions of the soft phase. In the present study, a designed low-rate electroless deposition method is found to be an effective way in producing strong textured anisotropic Sm-Pr-Co/Co nanocomposites with unusual continuous soft-phase coatings when assembling Co particles on the ball-milled anisotropic Sm-Pr-Co hard phase. The average particle size of the soft-phase coatings is 18–50 nm and the obtained Sm-Pr-Co/Co composites exhibit a high intrinsic coercivity of Hci=748 kA/m with an enhanced remanence of Mr=79 A·m2/g, as compared to Hci=836 kA/m and Mr=68 A·m2/kg for uncoated Sm-Pr-Co hard phase. Moreover, the coating process study reveals a nucleation control mechanism for the formation of the continuous coating structures. Down-sized Sm-Pr-Co/Co nanocomposites with tailored size below 300 nm or even below 100 nm were also produced by this designed method. This study is of theoretical and practical importance for developing advanced nanostructures including the next generation permanent magnets.

The excessive exploitation of rare earth elements (REEs) has caused major losses of non-renewable resources and damage to the ecosystem. The processes of mining and smelting produce massive amounts of wastewater with low concentrations of REEs. Consequently, the enrichment and recovery of low-concentration REEs from wastewater has significant economic and environmental value. For this purpose, operation under large phase ratios (the flow rate ratio between the aqueous phase and extractant) is more desirable and economically viable. However, the traditional REE extraction process suffers from the uneven dispersion of the extractant and the difficulty of phase separation, which leads to long extraction times and large consumption of extractants. Hence, there is an urgent need to develop a green and efficient technique to extract low concentrations of REEs from wastewater. In this work, a droplet-based microfluidic technique was used to continuously extract and recover low-concentration REEs at large phase ratios. Snowman-shaped magnetic Janus nanoparticles were added to the continuous phase as emulsifiers to facilitate uniform extractant dispersion and rapid phase separation. Several key factors affecting the extraction efficiency, including pH, residence time, and the amount of added Janus nanoparticles, were systematically investigated. Compared to batch extraction, droplet-based microfluidic extraction with the addition of Janus nanoparticles showed the advantages of a large specific surface area and fast phase separation during extraction. Meanwhile, the Janus nanoparticles exhibited good emulsification performance after three extraction cycles. In summary, the Janus nanoparticle-stabilized droplet generated by microfluidic methods provides a feasible path for the efficient enrichment and recovery of low-concentration REEs.

Electron Beam Melting (EBM) is a powder-bed additive manufacturing technology enabling the production of complex metallic parts with generally good mechanical properties. However, the performance of powder-bed based additively manufactured materials is governed by multiple factors that are difficult to control. Alloys that solidify in cubic crystal structures are usually affected by strong anisotropy due to the formation of columnar grains of preferred orientation. Moreover, processing induced defects and porosity detrimentally influence static and cyclic mechanical properties. The current study presents results on processing of a metastable austenitic CrMnNi steel by EBM. Due to multiple phase transformations induced by intrinsic heat-treatment in the layer-wise EBM process the material develops a fine-grained microstructure almost without a preferred crystallographic grain orientation. The deformation-induced phase transformation yields high damage tolerance and, thus, excellent mechanical properties less sensitive to process-induced inhomogeneities. Various scan strategies were applied to evaluate the width of an appropriate process window in terms of microstructure evolution, porosity and change of chemical composition.