pulse-pressure 发表于 2025-3-26 23:12:06

The Pseudopotential Approach to the Interatomic Interaction Problemhe perturbative approach is used to derive the (sp-bonded) metal structural energy. The significance and limitations of the resulting volume plus pair force expression are next discussed. Finally, a few non perturbative approaches are presented.

没收 发表于 2025-3-27 02:05:00

Dialectics as a Methodological Principlend inconveniences encountered in the ordinary molecular dynamics simulations due to the use of the microcanonical ensemble and the difference between the statistical ensembles are pointed out. We discuss in detail three typical methods ( extended system, constraint, and stochastic methods) developed

modish 发表于 2025-3-27 08:38:16

https://doi.org/10.1007/978-3-031-22591-8t” (thermally activated) and “hard” (thermally inactivated) intramolecular modes. Statistical mechanics of these complex mechanical bodies will be reviewed in some detail, both for models treating the hard degrees by stiff springs and those which freeze them from the outset by geometrical constraint

出汗 发表于 2025-3-27 09:29:26

http://reply.papertrans.cn/24/2340/233914/233914_34.png

Resection 发表于 2025-3-27 16:38:42

http://reply.papertrans.cn/24/2340/233914/233914_35.png

GEAR 发表于 2025-3-27 20:10:26

https://doi.org/10.1007/978-3-031-22591-8with a minimal local disturbance. The system response can be measured, either dynamically or in a steady state, and transport properties can be derived from this response. The theory connecting microscopic response with transport properties is outlined for the cases of thermal conductivity, viscosit

贪婪性 发表于 2025-3-27 21:55:28

http://reply.papertrans.cn/24/2340/233914/233914_37.png

同义联想法 发表于 2025-3-28 03:06:35

http://reply.papertrans.cn/24/2340/233914/233914_38.png

柔软 发表于 2025-3-28 09:47:50

http://reply.papertrans.cn/24/2340/233914/233914_39.png

导师 发表于 2025-3-28 14:04:23

http://reply.papertrans.cn/24/2340/233914/233914_40.png
页: 1 2 3 [4] 5 6
查看完整版本: Titlebook: Computer Simulation in Materials Science; Interatomic Potentia Madeleine Meyer,Vassilis Pontikis Book 1991 Kluwer Academic Publishers 1991