Multi-criteria analysis for screening of reversible metal hydrides in hydrogen gas storage and high pressure delivery applications

Metals and alloys forming reversible hydrides with hydrogen gas are potential building blocks for compact, solid state hydrogen storage systems. Based on the materials’ thermodynamic characteristics, their use as temperature-swing gas compression and delivery systems in the hydrogen economy is also possible. Given the wide variety of materials developed and tested at laboratory and pilot scales, a harmonized method of selecting the feasible material(s) for a particular real-life application is required. This study proposes a system selection framework based on a normalized, multi-criteria metric. Using calculated values of multi-criteria metric, multi-criteria screening and ranking of potential materials has been demonstrated for a particular use case. It is found that the alloy TiMn_1.52 having value of additive metric between 0.25 and 0.35 represents the best material for a single stage system. The alloy pair CaNi₅–Ti_1.5CrMn represents the best alternative for a two-stage system with additive metric values between 0.63 and 0.82. Energy and economic characteristics of the metal hydride gas compression and delivery systems are evaluated and compared with an equivalent mechanical compression system producing the same final effect (i.e., delivery of a given quantity of gas at a defined pressure).     

Pressure-induced transparency of MgO,Al2O3, AlN,and cBN ceramics at room temperature

The in situ axial X-ray diffraction patterns of four ceramic powder samples (MgO, Al₂O₃, AlN, and cBN) that were compressed in a diamond anvil cell under uniaxial non-hydrostatic conditions were recorded. The microscopic deviatoric stress as a function of the pressure was determined from the X-ray diffraction peak broadening analysis: the curves increased approximately linearly with the pressure at the initial compression stage and then levelled off under further compression. Pressure-induced transparency was observed in all of the samples under compression, and the pressure at the turning point on the curves of the microscopic deviatoric stress versus pressure corresponded to the pressure at which the samples became transparent. Analysis of the microstructural features of the pressure-induced transparent samples indicated that the compression caused the grains to fracture, and the broken grains bonded with each other. We demonstrated that the ceramics’ pressure-induced transparency was a process during which the grains were squeezed and broken, the pores were close between the grains, and the broken grains were re-bonded under compression.     

Prediction of Chameleonic Efficiency

Chameleonic properties, i. e., the capacity of a molecule to hide polarity in non-polar environments and expose it in water, help achieving sufficient permeability and solubility for drug molecules with high MW. We present models of experimental measures of polarity for a set of 24 FDA approved drugs (MW 405-1113) and one PROTAC (MW 1034). Conformational ensembles in aqueous and non-polar environments were generated using molecular dynamics. A linear regression model that predicts chromatographic apparent polarity (EPSA) with a mean unsigned error of 10 Ų was derived based on separate terms for donor, acceptor, and total molecular SASA. A good correlation (R²=0.92) with an experimental measure of hydrogen bond donor potential, Δlog P_oct-tol, was found for the mean hydrogen bond donor SASA of the conformational ensemble scaled with Abraham's A hydrogen bond acidity. Two quantitative measures of chameleonic behaviour, the chameleonic efficiency indices, are introduced. We envision that the methods presented herein will be useful to triage designed molecules and prioritize those with the best chance of achieving acceptable permeability and solubility.     

Interfacial microstructure and mechanical properties of Ti3SiC2 ceramic and TC11 alloy joint diffusion bonded with a Cu interlayer

Reliable joints of Ti₃SiC₂ ceramic and TC11 alloy were diffusion bonded with a 50 μm thick Cu interlayer. The typical interfacial structure of the diffusion boned joint, which was dependent on the interdiffusion and chemical reactions between Al, Si and Ti atoms from the base materials and Cu interlayer, was TC11/α-Ti + β-Ti + Ti₂Cu + TiCu/Ti₅Si₄ + TiSiCu/Cu(s, s)/Ti₃SiC₂. The influence of bonding temperature and time on the interfacial structure and mechanical properties of Ti₃SiC₂/Cu/TC11 joint was analyzed. With the increase of bonding temperature and time, the joint shear strength was gradually increased due to enhanced atomic diffusion. However, the thickness of Ti₅Si₄ and TiSiCu layers with high microhardness increased for a long holding time, resulting in the reduction of bonding strength. The maximum shear strength of 251 ± 6 MPa was obtained for the joint diffusion bonded at 850 °C for 60 min, and fracture primarily occurred at the diffusion layer adjacent to the Ti₃SiC₂ substrate. This work provided an economical and convenient solution for broadening the engineering application of Ti₃SiC₂ ceramic.     

Novel TiC-based composites with enhanced mechanical properties

Novel TiC-based composites were synthesized by reactive hot-pressing at 1800 °C for 1 h with ZrB₂ addition as a sintering aid for the first time. The effects of ZrB₂ contents on the phase composition, microstructure evolution, and mechanical properties were reported. Based on the reaction and solid solution coupling effects between ZrB₂ and TiC, the product ZrC may be partially or completely dissolved into the TiC matrix, and then phase separation within the miscibility gap is observed to form lamellar nanostructured ZrC-rich (Zr, Ti)C. The TiC-10 mol.% ZrB₂ (starting batch composition) exhibits good comprehensive mechanical properties of hardness 27.7 ± 1.3 GPa, flexural strength 659 ± 48 MPa, and fracture toughness of 6.5 ± 0.6 MPa m^1/2, respectively, which reach or exceed most TiC-based composites using ceramics as sintering aids in the previous reports.     

Metal chlorides-promoted ammonia absorption of deep eutectic solvent

Ammonia is considered as a promising hydrogen or energy carrier. Ammonia absorption or adsorption is an important aspect for both ammonia removal, storage and separation applications. To these ends, a wide range of solid and liquid sorbents have been investigated. Among these, the deep eutectic solvent (DES) is emerging as a promising class of ammonia absorbers. Herein, we report a novel type of DES, i.e., metal-containing DESs for ammonia absorption. Specifically, the NH₃ absorption capacity is enhanced by ca. 18.1–36.9% when a small amount of metal chlorides, such as MgCl₂, MnCl₂ etc., are added into a DES composed of resorcinol (Res) and ethylene glycol (EG). To our knowledge, the MgCl₂/Res/EG (0.1:1:2) DES outperforms most of the reported DESs. The excellent NH₃ absorption performances of metal–containing DESs have been attributed to the synergy of Lewis acid–base and hydrogen bonding interactions. Additionally, good reversibility and high NH₃/CO₂ selectivity are achieved over the MgCl₂/Res/EG (0.1:1:2) DES, which enables it to be a potential NH₃ absorber for further investigations.     

Characterizations of friction welding joint interface for AISI 316

Because of heat amount is different from peripheral to central of friction welding interface, which is leaded to vary the characterizations along that interface. Current study, respectively, focused on the effect of different friction pressure on micro-structural and mechanical properties of that friction welding joint interface. Presently, these friction pressures are 110, 130, 150 and 170 MPa while kept all other conditions constant. The effects of different friction pressure on welding interface characterization were investigated by EDX, SEM, tensile, compression, impact and hardness tests. The tensile tests carried out on the standardized test piece with diameter 6 mm and 8 mm, thus, compression tests were extracted from the positions of 0°, 45° 90° with test specimen of 4 mm diameter and 6.5 mm length at weld center. Whereas, the impact test pieces were picked up in two positions, the first one is symmetrical, which it obtained to the respect of the rotation axis and the interface, on the other hand, the second one is non-symmetrical with the axis of rotation and symmetrical to the interface, for making the notch head coincide with the center of the welded joint, The obtained results showed that with reducing of friction pressure will present lack of bonding increasing from peripheral toward the welding center, which will responsible on reducing of the mechanical properties such as tensile, compression and impact strength.     

基于信号增强的缓慢泄漏检测方法

目前管道泄漏检测方法可有效检测突发泄漏，对于缓慢泄漏则存在检测灵敏度低、定位不准确等问题。基于此，提出了一种基于信号增强的缓慢泄漏检测方法。通过信号压缩（抽取及移位）克服缓慢泄漏压力信号下降平缓的缺点；根据声波信号具有波形尖锐突出、对突发泄漏敏感的优点，通过建立以压力为输入、虚拟声波为输出的声波信号变送器模型，将压力信号转换为声波信号，克服了泄漏压力信号容易被淹没在管道压力波动及背景噪声中的缺点，实现了缓慢泄漏信号的增强；利用临近插值方法重构虚拟声波信号，基于延时互相关分析实现了缓慢泄漏的准确定位。实验结果表明，该方法具有显著的信号增强效果和定位精度，实现了缓慢泄漏的准确检测。