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International Journal for Multiscale Computational Engineering

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ISSN Печать: 1543-1649

ISSN Онлайн: 1940-4352

The Impact Factor measures the average number of citations received in a particular year by papers published in the journal during the two preceding years. 2017 Journal Citation Reports (Clarivate Analytics, 2018) IF: 1.4 To calculate the five year Impact Factor, citations are counted in 2017 to the previous five years and divided by the source items published in the previous five years. 2017 Journal Citation Reports (Clarivate Analytics, 2018) 5-Year IF: 1.3 The Immediacy Index is the average number of times an article is cited in the year it is published. The journal Immediacy Index indicates how quickly articles in a journal are cited. Immediacy Index: 2.2 The Eigenfactor score, developed by Jevin West and Carl Bergstrom at the University of Washington, is a rating of the total importance of a scientific journal. Journals are rated according to the number of incoming citations, with citations from highly ranked journals weighted to make a larger contribution to the eigenfactor than those from poorly ranked journals. Eigenfactor: 0.00034 The Journal Citation Indicator (JCI) is a single measurement of the field-normalized citation impact of journals in the Web of Science Core Collection across disciplines. The key words here are that the metric is normalized and cross-disciplinary. JCI: 0.46 SJR: 0.333 SNIP: 0.606 CiteScore™:: 3.1 H-Index: 31

Indexed in

Action-Based Pathway Modeling for Atomic Surface Diffusion

Том 5, Выпуск 3-4, 2007, pp. 273-286
DOI: 10.1615/IntJMultCompEng.v5.i3-4.90
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Краткое описание

Action-derived molecular dynamics is applied to the simulation of self-diffusion processes on copper substrates. By minimizing a modified action with an energy conservation constraint, the method enables effective computations of minimum energy paths and activation energy barriers for the broad range of multiple timescale problems, including infrequent events and slow-mode systems. Single-adatom diffusions of hopping and exchange moves are first presented to demonstrate its performance. More complex diffusion mechanisms are simulated for hopping and exchange motions across a double-layer step on the Cu(111) surface, which are very difficult to explore by conventional molecular dynamics. Strain effects on diffusion energy barriers are also investigated for a Cu(001)flat surface. Finally, we propose an algorithm to incorporate a multiple length scale scheme into the current method, i.e., the combination of the action-derived molecular dynamics with the nonlocal quasicontinuum method. This hybrid scheme is expected to provide an efficient route to the simultaneous coupling of multiple length and timescales within a single algorithmic framework.

ЦИТИРОВАНО В
  1. JUN S., PENDURTI S., LEE I.-H., KIM S. Y., PARK H. S., KIM Y.-H., ACTION-DERIVED AB INITIO MOLECULAR DYNAMICS, International Journal of Applied Mechanics, 01, 03, 2009. Crossref

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