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Phase Field Method

Vasily Bulatov and Wei Cai

in Computer Simulations of Dislocations

Published in print:
2006
Published Online:
November 2020
ISBN:
9780198526148
eISBN:
9780191916618
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/oso/9780198526148.003.0016
Subject:
Computer Science, Software Engineering

The phase field method (PFM) can be used as an approach to dislocation dynamics simulations alternative to the line DD method discussed in Chapter 10. The degrees of freedom in PFM are continuous ... More


Finding Transition Pathways

Vasily Bulatov and Wei Cai

in Computer Simulations of Dislocations

Published in print:
2006
Published Online:
November 2020
ISBN:
9780198526148
eISBN:
9780191916618
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/oso/9780198526148.003.0011
Subject:
Computer Science, Software Engineering

As was discussed in Chapter 2, stable and accurate numerical integration of the MD equations of motion demands a small time step. In MD simulations of solids, the integration step is usually of the ... More


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