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您的检索式：作者名="Jiawei Mai"
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| 1 | Linear-superelastic Ti-Nb nanocomposite alloys with ultralow modulus via high-throughput phase-field design and machine learning显示文摘The optimal design of shape memory alloys(SMAs)with specific properties is crucial for the innovative application in advanced technologies.Herein,inspired by the recently proposed design concept of concentration modulation,we explore martensitic transformation(MT)in and design the mechanical properties of Ti-Nb nanocomposites by combining high-throughput phase-field simulations and machine learning(ML)approaches.Systematic phase-field simulations generate data of the mechanical properties for various nanocomposites constructed by four macroscopic degrees of freedom.An ML-assisted strategy is adopted to perform multiobjective optimization of the mechanical properties,through which promising nanocomposite configurations are prescreened for the next set of phase-field simulations.The ML-guided simulations discover an optimized nanocomposite,composed of Nb-rich matrix and Nb-lean nanofillers,that exhibits a combination of mechanical properties,including ultralow modulus,linear superelasticity,and near-hysteresis-free in a loading-unloading cycle.The exceptional mechanical properties in the nanocomposite originate from optimized continuous MT rather than a sharp first-order transition,which is common in typical SMAs.This work demonstrates the great potential of ML-guided phase-field simulations in the design of advanced materials with extraordinary properties. | Yuquan Zhu Tao Xu Qinghua Wei Jiawei Mai Hongxin Yang Huiran Zhang Takahiro Shimada Takayuki Kitamura Tong-Yi Zhang | 2021 | npj Computational Materials2021，，1： | 1 |
| 2 | Surface segregation of hydrogen in free-standing Pd-H alloy nanofilms显示文摘The interaction between mechanics and chemistry plays an essential and critical role in the behaviors and properties of materials,especially in nanoscale alloys. Based on the classical Gibbs and Mc Lean adsorption isotherms, the present study takes the freestanding nanometer thick films of Pd-H solid solutions as a typic example to investigate surface segregation of hydrogen. The surface eigenstress model is further developed here to give analytic formulas, which have the capability to quantitatively predict the size-dependent surface segregation. Molecular dynamics(MD) simulations are conducted on free-standing Pd-H nanofilms.The MD simulations verify the theoretical analytic results and determine the values of parameters involved in the theoretical analysis. The integrated theoretical and numerical study exhibits that both surface excess H concentration and apparent biaxial Young’s modulus of Pd-H thin films depend on the nominal H concentration and the film thickness. The MD simulations determine the values of three parameters involved in the theoretical analysis. Especially, the parameter of the differentiation in reference chemical potential behaves like the molar free energy of segregation in the Mc Lean adsorption isotherm. | CAI Hong MAI JiaWei GAO YingXin HUANG He SUN Sheng ZHANG TongYi | 2019 | Science China(Technological Sciences)2019，62，10： | 0 |
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