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边界元法×分子动力学×
领域材料科学材料科学
方法族Process / pipelineProcess / pipeline
起源年份19781957
提出者Carlos BrebbiaAlder and Wainwright
类型Computational methodSimulation method
开创性文献Brebbia, C. A. (1978). The Boundary Element Method for Engineers. Pentech Press. link ↗Alder, B. J., & Wainwright, T. E. (1957). Phase transition for a hard sphere system. The Journal of Chemical Physics, 27(5), 1208-1209. DOI ↗
别名BEM, boundary integral equation methodMD simulation, molecular dynamics simulation, atomistic simulation
相关33
摘要The Boundary Element Method (BEM) is a numerical technique that solves partial differential equations by transforming them into boundary integral equations, requiring discretization only of the problem boundary rather than the entire domain. Developed systematically by Carlos Brebbia in the late 1970s, BEM offers significant advantages for infinite or semi-infinite domains, stress concentration analysis, and problems with high aspect ratios. It is especially valuable in geotechnical engineering, acoustics, and materials characterization.Molecular Dynamics (MD) is a computational technique that simulates the motion of atoms and molecules by solving Newton's equations of motion under specified forces. Pioneered by Alder and Wainwright in 1957, MD integrates time-dependent atomic trajectories from initial positions, allowing prediction of material properties, phase transitions, and dynamic behavior. It bridges the gap between quantum mechanics (which determines interatomic forces) and macroscopic phenomena (accessible only through experiment), enabling study of timescales from femtoseconds to microseconds and length scales from angstroms to hundreds of nanometers.
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  1. v1
  2. 3 来源
  3. PUBLISHED

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ScholarGate方法对比: Boundary Element Method · Molecular Dynamics. 于 2026-06-17 检索自 https://scholargate.app/zh/compare