Editing Crystallographic defect (section)

==Computer simulation methods==

[[Density functional theory]], classical [[molecular dynamics]] and [[kinetic Monte Carlo]]<ref>{{cite journal|last1=Cai|first1=W.|last2=Bulatov|first2=V. V.|last3=Justo|first3=J. F.|last4=Argon|first4=A.S|last5=Yip|first5=S.|title=Intrinsic mobility of a dissociated dislocation in silicon|journal=Phys. Rev. Lett.|date=2000|volume=84|issue=15|pages=3346–3349|doi=10.1103/PhysRevLett.84.3346|pmid=11019086|bibcode = 2000PhRvL..84.3346C }}</ref>
simulations are widely used to study the properties of defects in solids with computer simulations.<ref name="Ash12" /><ref name="May03">{{cite journal|journal=Phys. Rev. Lett.|year=2003|volume=90|pages=055505|doi=10.1103/PhysRevLett.90.055505|pmid=12633371|title=Mechanisms of radiation-induced viscous flow: Role of point defects|issue=5|last1=Mayr|first1=S.|last2=Ashkenazy|first2=Y.|last3=Albe|first3=K.|last4=Averback|first4=R.|bibcode = 2003PhRvL..90e5505M }}</ref><ref name="Nor05" /><ref>{{cite journal|last1=Korhonen|first1=T|title=Vacancy formation energies for fcc and bcc transition metals|journal=Phys. Rev. B|year=1995|volume=51|pages=9526–9532|doi=10.1103/PhysRevB.51.9526|pmid=9977614|last2=Puska|first2=M.|last3=Nieminen|first3=R.|issue=15|bibcode = 1995PhRvB..51.9526K |url=https://aaltodoc.aalto.fi/handle/123456789/17453}}</ref><ref>{{cite journal|last1=Puska|first1=M. J.|title=Convergence of supercell calculations for point defects in semiconductors: vacancy in silicon|journal=Phys. Rev. B|year=1998|volume=58|pages=1318–1325|doi=10.1103/PhysRevB.58.1318|last2=Pöykkö|first2=S.|last3=Pesola|first3=M.|last4=Nieminen|first4=R.|issue=3|bibcode = 1998PhRvB..58.1318P |url=https://aaltodoc.aalto.fi/handle/123456789/17393}}</ref><ref>{{cite journal|title=The role of self-interstitial atoms on the high temperature properties of metals|journal=Phys. Rev. Lett.|year=1998|volume=80|pages=4201–4204|doi=10.1103/PhysRevLett.80.4201|issue=19|last1=Nordlund|first1=K.|last2=Averback|first2=R.|bibcode = 1998PhRvL..80.4201N }}</ref><ref>{{cite journal|last1=Sadigh|first1=B|title=Mechanism of Boron Diffusion in Silicon: An Ab Initio and Kinetic Monte Carlo Study|journal=Phys. Rev. Lett.|year=1999|volume=83|pages=4341–4344|doi=10.1103/PhysRevLett.83.4341|last2=Lenosky|first2=Thomas|last3=Theiss|first3=Silva|last4=Caturla|first4=Maria-Jose|last5=Diaz De La Rubia|first5=Tomas|last6=Foad|first6=Majeed|issue=21|bibcode = 1999PhRvL..83.4341S |url=https://zenodo.org/record/1233927}}</ref> 
Simulating jamming of hard spheres of different sizes and/or in containers with non-commeasurable sizes using the [[Lubachevsky–Stillinger algorithm]]
can be an effective technique for demonstrating some types of crystallographic defects.<ref>{{cite journal|doi=10.1007/BF02183698|bibcode=1995JSP....78.1011S|title=Patterns of broken symmetry in the impurity-perturbed rigid-disk crystal|year=1995|last1=Stillinger|first1=Frank H.|last2=Lubachevsky|first2=Boris D.|journal=Journal of Statistical Physics|volume=78|issue=3–4|pages=1011–1026|s2cid=55943037}}</ref>