On the estimation of spatial averaging volume for determining stress using atomistic methods

Manfred Hannes Ulz; Kranthi Kiran Mandadapu; Panayiotis Papadopoulos

doi:10.1088/0965-0393/21/1/015010

On the estimation of spatial averaging volume for determining stress using atomistic methods

Manfred Hannes Ulz, Kranthi Kiran Mandadapu, Panayiotis Papadopoulos^*

^*Corresponding author for this work

Institute of Strength of Materials (3040)

Research output: Contribution to journal › Article › peer-review

Abstract

The estimation of stress at a continuum point from the atomistic scale requires volume averaging over a region that contains this point. A hypothesis is put forth to obtain a lower bound for the size of this region based on an analogy to the Ising model. This hypothesis is tested on copper using two classical elasticity problems

Original language	English
Article number	015010
Journal	Modelling and Simulation in Materials Science and Engineering
Volume	21
Issue number	1
DOIs	https://doi.org/10.1088/0965-0393/21/1/015010
Publication status	Published - 2013

Fields of Expertise

Advanced Materials Science

Treatment code (Nähere Zuordnung)

Basic - Fundamental (Grundlagenforschung)
Theoretical

Access to Document

10.1088/0965-0393/21/1/015010

Cite this

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abstract = "The estimation of stress at a continuum point from the atomistic scale requires volume averaging over a region that contains this point. A hypothesis is put forth to obtain a lower bound for the size of this region based on an analogy to the Ising model. This hypothesis is tested on copper using two classical elasticity problems",

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AB - The estimation of stress at a continuum point from the atomistic scale requires volume averaging over a region that contains this point. A hypothesis is put forth to obtain a lower bound for the size of this region based on an analogy to the Ising model. This hypothesis is tested on copper using two classical elasticity problems

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DO - 10.1088/0965-0393/21/1/015010

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