Molecular dynamic studies of crack propagation. The role of the interatomic potential

PDF Version Also Available for Download.

Description

We have used the molecular dynamic simulation technique in studying a variety of solid state problems, ranging from equation-of-state and shock wave propagation to epitaxy and various aspects of crack propagation. In these simulations, which are classical, Newton's equations-of-motion are solved for each particle at every step to yield positions, velocities, forces and energies. An important limitation of the technique is that one has to put an interatomic potential into the calculation. Within these restrictions the technique is exact and is very powerful in automatically incorporating many body and anharmonic effects into the calculation. For complicated processes, such as crack ... continued below

Physical Description

Pages: 6

Creation Information

Dienes, G.J. January 1, 1986.

Context

This article is part of the collection entitled: Office of Scientific & Technical Information Technical Reports and was provided by UNT Libraries Government Documents Department to Digital Library, a digital repository hosted by the UNT Libraries. More information about this article can be viewed below.

Who

People and organizations associated with either the creation of this article or its content.

Author

Publisher

Provided By

UNT Libraries Government Documents Department

Serving as both a federal and a state depository library, the UNT Libraries Government Documents Department maintains millions of items in a variety of formats. The department is a member of the FDLP Content Partnerships Program and an Affiliated Archive of the National Archives.

Contact Us

What

Descriptive information to help identify this article. Follow the links below to find similar items on the Digital Library.

Description

We have used the molecular dynamic simulation technique in studying a variety of solid state problems, ranging from equation-of-state and shock wave propagation to epitaxy and various aspects of crack propagation. In these simulations, which are classical, Newton's equations-of-motion are solved for each particle at every step to yield positions, velocities, forces and energies. An important limitation of the technique is that one has to put an interatomic potential into the calculation. Within these restrictions the technique is exact and is very powerful in automatically incorporating many body and anharmonic effects into the calculation. For complicated processes, such as crack propagation, there is a practical limitation to two dimensions, simply by the availability of computing capabilities, if a large enough sample, representative of bulk processes is to be used.

Physical Description

Pages: 6

Notes

NTIS, PC A02/MF A01.

Source

  • Role of Hungarians in the scientific and technological progress of the world, Budapest, Hungary, 4 Aug 1986

Language

Item Type

Identifier

Unique identifying numbers for this article in the Digital Library or other systems.

  • Other: DE86009942
  • Report No.: BNL-37960
  • Report No.: CONF-860852-1
  • Grant Number: AC02-76CH00016
  • Office of Scientific & Technical Information Report Number: 5728695
  • Archival Resource Key: ark:/67531/metadc1093756

Collections

This article is part of the following collection of related materials.

Office of Scientific & Technical Information Technical Reports

Reports, articles and other documents harvested from the Office of Scientific and Technical Information.

Office of Scientific and Technical Information (OSTI) is the Department of Energy (DOE) office that collects, preserves, and disseminates DOE-sponsored research and development (R&D) results that are the outcomes of R&D projects or other funded activities at DOE labs and facilities nationwide and grantees at universities and other institutions.

What responsibilities do I have when using this article?

When

Dates and time periods associated with this article.

Creation Date

  • January 1, 1986

Added to The UNT Digital Library

  • Feb. 10, 2018, 10:06 p.m.

Description Last Updated

  • April 24, 2018, 3:24 p.m.

Usage Statistics

When was this article last used?

Yesterday: 0
Past 30 days: 3
Total Uses: 5

Interact With This Article

Here are some suggestions for what to do next.

Start Reading

PDF Version Also Available for Download.

International Image Interoperability Framework

IIF Logo

We support the IIIF Presentation API

Dienes, G.J. Molecular dynamic studies of crack propagation. The role of the interatomic potential, article, January 1, 1986; Upton, New York. (digital.library.unt.edu/ark:/67531/metadc1093756/: accessed October 19, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.