Grain boundary strengthening in ZrB2 by segregation of W: Atomistic simulations with deep learning potential

Interaction between grain boundaries and impurities usually leads to significant altering of material properties. Understanding the composition-structure-property relationship of grain boundaries is a key avenue for tailoring and designing high performance materials. In this work, we studied segregation of W into ZrB₂ grain boundaries by a hybrid method combining Monte Carlo (MC) and molecular dynamics (MD), and examined the effects of segregation on grain boundary strengths by MD tensile testing with a fitted machine learning potential. It is found that W prefers grain boundary sites with local compression strains due to its smaller size compared to Zr. Rich segregation patterns (including monolayer, off-center bilayer, and other complex patterns); segregation induced grain boundary structure reconstruction; and order-disorder like segregation pattern transformation are discovered. Strong segregation tendency of W into ZrB₂ grain boundaries and significant improvements on grain boundary strengths are certified, which guarantees outstanding high temperature performance of ZrB₂-based UHTCs.     

Fabrication of high thermal conductivity silicon nitride ceramics by pressureless sintering with MgO and Y2O3 as sintering additives

The fabrication of silicon nitride (Si₃N₄) ceramics with a high thermal conductivity was investigated by pressureless sintering at 1800 °C for 4 h in a nitrogen atmosphere with MgO and Y₂O₃ as sintering additives. The phase compositions, relative densities, microstructures, and thermal conductivities of the obtained Si₃N₄ ceramics were investigated systemically. It was found that at the optimal MgO/Y₂O₃ ratio of 3/6, the relative density and thermal conductivity of the obtained Si₃N₄ ceramic doped with 9 wt% sintering aids reached 98.2% and 71.51 W/(m·K), respectively. EDS element mapping showed the distributions of yttrium, magnesium and oxygen elements. The Si₃N₄ ceramics containing rod-like grains and grain boundaries were fabricated by focused ion beam technique. TEM observations revealed that magnesium existed as an amorphous phase and that yttrium produced a new secondary phase.     

基于功频下垂控制的光伏并网发电系统惯量阻尼机理研究

针对光伏以低惯量、弱阻尼的特征大规模接入电网，给电网稳定性带来不利影响的问题，基于功频下垂控制的光伏并网发电系统，借鉴经典电气转矩分析法，从物理机制层面上分析影响系统惯量、阻尼以及同步能力的作用规律。研究结果表明对于控制参数的影响规律而言，惯量特性主要受功率环的比例系数Kp影响，且随Kp的增大而增强；阻尼特性受频率下垂系数Dp影响比较明显，且随Dp的增大而减弱；同步特性只受功率环的比例积分系数Ki影响，且随Ki的增大而增强。通过仿真验证了理论分析的正确性。     

The impact of heat-treatment protocol on the grain size and ionic conductivity of NASICON glass-ceramics

Na₂AlTi(PO₄)₃ (NATP) and Na_1.8Al_0.8Ge_1.2(PO₄)₃ (NAGP) NASICON (Na-Superionic Conductor) glass-ceramics are obtained by applying different single (SHT) and double (DHT) heat treatments on the respective precursor glass to evaluate its effect on the microstructure and in turn, on the total ionic conductivity. The grain and grain boundary contributions are also analyzed in the NATP composition. SHT with longer crystallization times favors the development of well-defined grains in both compositions and also promotes the grain growth in NAGP samples. This behavior causes a decrease in the activation energy of the grain boundary, which enhances the total ionic conductivity. Regarding DHT samples, microstructure with larger grains and higher ionic conductivity were obtained with shorter nucleation times for NATP and NAGP compositions. Finally, the microstructural variation generated by the different thermal treatments causes the total conductivity to increase up to two times.     

Highly Stretchable and Sensitive SBS/Graphene Composite Fiber for Strain Sensors

Flexible strain sensors have attracted tremendous interests due to the emergence of intelligent wearable technology. Electrically conductive fibers are desirable candidates for flexible strain sensors, but up til now, there still exist enormous challenges to obtain conductive fibers exhibiting simultaneously high stretchability and high strain sensitivity. This paper introduces a poly (styrene‐butadiene‐styrene) (SBS)/graphene (Gr) composite fiber‐based flexible strain sensor fabricated by a facile and highly scalable wet spinning method. The results demonstrate that the graphene content has significant influence on the morphology, mechanical properties, and electromechanical properties of the composite fibers. The fibers with 5 wt% graphene have a wide response range of up to 100% strain, a high electrical sensitivity with the gauge factor of 10083.98 at 100% strain, and meanwhile, a high level of stability for 2100 stretching–releasing cycles under an applied strain of 20%. Furthermore, the SBS‐5%Gr composite fibers display excellent sensing performance in detecting human upper limb movements at different joints including hand joints, wrist joints, elbow joints, and shoulder joints.     

Enhancing the intergranular corrosion resistance of high Mg-alloyed Al–Mg alloy by Y addition

Microalloying is thought to improve the performance of Al–Mg alloys commonly used in transport applications. The effect of Y addition (0–0.4%) on the microstructure, mechanical properties, and corrosion resistance of Al–9.2Mg–0.7Mn alloy is investigated for potential use in engineering applications. The generation of the β-Al₃Mg₂ phase along the grain boundaries is suppressed in the as-cast alloy due to the formation of the AlMgY ternary phase. The average intergranular corrosion mass loss of the alloy with 0.1% Y addition decreases about 53.1% almost at no expense of mechanical performance in the as-rolled alloy after annealing. Moreover, the alloy with 0.1% Y addition shows the corrosion mass loss about 30.2% lower than the Y-free alloy in the sensitized state. The enhanced corrosion resistance of the alloy can be ascribed to the reduced β-Al₃Mg₂ precipitation along the grain boundaries associated with Y addition.     

车轮多边形磨耗统计规律及关键影响因素分析

针对列车车轮多边形磨耗问题广泛存在于轨道交通运输领域,会导致车辆/轨道系统产生高频的振动冲击,严重影响车辆和轨道系统零部件的使用寿命,危及行车安全这一问题,调查了大量车轮的多边形磨耗情况并进行统计分析,掌握了高速列车车轮多边形磨耗问题的现状和特点。以18～20阶多边形磨耗车辆为例,通过理论研究和试验分析(试验分析包括车辆系统振动特性测试和转向架模态特性测试),对车轮多边形磨耗的根本原因及诱导因素进行研究。研究发现,轮轨系统在580 Hz频率附近存在固有模态是导致车辆发生18～20阶多边形磨耗的根本原因,轮轨表面的各种不平顺能激发或者加剧轮轨系统在580 Hz频率附近的模态共振,从而诱发车轮多边形磨耗的产生。该结果可为高速列车车轮多边形磨耗问题的防止和进一步研究提供参考。     

Low temperature heat capacity measurements of β-Si3N4 and γ-Si3N4: Determination of the equilibrium phase boundary between β-Si3N4 and γ-Si3N4

Isobaric heat capacities of β-Si₃N₄ and γ-Si₃N₄ were measured at temperatures between 1.8 and 309.9 K with a thermal relaxation method. The measured heat capacities of γ-Si₃N₄ are smaller than those of β-Si₃N₄ in this temperature range. Using these data, we determined the standard entropies of β-Si₃N₄ and γ-Si₃N₄ to be 62.30 J·mol⁻¹ K⁻¹ and 51.79 J·mol⁻¹ K⁻¹, respectively. The equilibrium phase boundary between β-Si₃N₄ and γ-Si₃N₄ was calculated using these values and thermodynamic parameters reported in previous studies. The obtained equilibrium phase transition pressure at 2000 K is 11.4 GPa. It is lower than the experimental pressures at which γ-Si₃N₄ was synthesized in previous studies. The calculated Clapeyron slope at this temperature is 0.6 MPa K⁻¹, which is consistent with those of theoretical studies.     

Low‐order optimal regulation of parabolic PDEs with time‐dependent domain

Observer and optimal boundary control design for the objective of output tracking of a linear distributed parameter system given by a two‐dimensional (2‐D) parabolic partial differential equation with time‐varying domain is realized in this work. The transformation of boundary actuation to distributed control setting allows to represent the system's model in a standard evolutionary form. By exploring dynamical model evolution and generating data, a set of time‐varying empirical eigenfunctions that capture the dominant dynamics of the distributed system is found. This basis is used in Galerkin's method to accurately represent the distributed system as a finite‐dimensional plant in terms of a linear time‐varying system. This reduced‐order model enables synthesis of a linear optimal output tracking controller, as well as design of a state observer. Finally, numerical results are prepared for the optimal output tracking of a 2‐D model of the temperature distribution in Czochralski crystal growth process which has nontrivial geometry. © 2014 American Institute of Chemical Engineers AIChE J, 61: 494–502, 2015