MEAMfit: A reference-free modified embedded atom method (RF-MEAM) energy and force-fitting code

Duff Andrew Ian

首页> 外文期刊>Computer physics communications >MEAMfit: A reference-free modified embedded atom method (RF-MEAM) energy and force-fitting code

【24h】

MEAMfit: A reference-free modified embedded atom method (RF-MEAM) energy and force-fitting code

机译：MEAMfit：无参考的改进的嵌入原子方法（RF-MEAM）能量和力拟合代码

获取原文

获取原文并翻译 | 示例

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

文献代查 >>

页面导航

摘要
著录项
相似文献
相关主题

摘要

MEAMfit v1.02. Changes: various bug fixes; speed of single-shot energy and force calculations (not optimization) increased by x 10; elements up to Cn (Z = 112) now correctly read from vasprun.xml files; EAM fits now produce Camelion output files; changed max number of vasprun.xml files to 10,000 (an unnecessary lower limit of 10 was allowed in the previous version).

机译：MEAMfit v1.02。更改：各种错误修复;单发能量和力计算速度（不是优化）提高了10倍;现在可以从vasprun.xml文件正确读取不超过Cn（Z = 112）的元素; EAM现在可以生成Camelion输出文件;将vasprun.xml文件的最大数量更改为10,000（在以前的版本中，不必要的下限为10）。

著录项

来源
《Computer physics communications》 |2016年第null期|共2页
作者
Duff Andrew Ian;
展开▼
作者单位

展开▼
收录信息
原文格式 PDF
正文语种 eng
中图分类计算机的应用;
关键词
Interatomic potential; Fitting; Lattice vibrations;

机译：原子间势;拟合;晶格振动;

相似文献

外文文献
中文文献
专利

1. MEAMfit: A reference-free modified embedded atom method (RF-MEAM) energy and force-fitting code [J] . Duff Andrew Ian Computer physics communications . 2016,第Null期

机译：MEAMfit：无参考的改进的嵌入原子方法（RF-MEAM）能量和力拟合代码
2. The effectiveness of reference-free modified embedded atom method potentials demonstrated for NiTi and NbMoTaW [J] . Srinivasan Prashanth, Duff Andrew I., Mellan Thomas A., Modelling and simulation in materials science and engineering . 2019,第6期

机译：NITI和NBMOTAW所证明了无参考的修改嵌入原子方法的有效性
3. Calculation by embedded atom method and modified embedded atom method for the energy of multi-atomic systems [J] . Mitsuo Notomi, Kunio Takahashi, Takashi Nakano, 材料 . 1999,第9期

机译：通过嵌入原子方法计算和多原子系统能量的改进嵌入原子方法
4. Vibrational Properties of TaW Alloy Using Modified Embedded Atom Method Potential [C] . Manesh Chand, Shweta Uniyal, Subodh Joshi, International Conference on Condensed Matter and Applied Physics . 2016

机译：用改进的嵌入原子方法电位触发合金的振动性能
5. Density functional theory and modified embedded-atom method: Applications to steel, magnesium alloys, and semiconductor surfaces. [D] . Houze, Jeff. 2010

机译：密度泛函理论和改进的嵌入原子方法：在钢，镁合金和半导体表面上的应用。
6. Modified Embedded Atom Method Potential for Modelingthe Thermodynamic Properties of High Thermal Conductivity BerylliumOxide [O] . Jie Wei, Wei Zhou, Song Li, 2019

机译：改进的嵌入式原子方法建模潜力高导热铍的热力学性质氧化物
7. New Zirconium Hydrogen Second Nearest Neighbor Modified Embedded Atom Method (MEAM) Potential For Simulation of Stacking Fault Energy Along the <0110> Path Of The Hexagonal Closely Packed Lattice Basal Plane [O] . Nenad Vuksic -1

机译：新的锆氢铁第二最近邻改进的嵌入式原子方法（MEAM）沿六边形紧密包装晶格基底平面<0110的堆叠故障能量模拟
8. Modified Embedded Atom Method Study of the Mechanical Properties of Carbon Nanotube Reinforced Nickel Composites [R] . Uddin, J., Baskes, M. I., Inivasan, S. G., 2010

机译：改进的嵌入原子法研究碳纳米管增强镍复合材料的力学性能

MEAMfit: A reference-free modified embedded atom method (RF-MEAM) energy and force-fitting code

摘要

著录项

相似文献

相关主题

期刊订阅