计算机模拟纳米材料:从纳米到微米混合技术进展.pdfVIP

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计算机模拟纳米材料:从纳米到微米混合技术进展.pdf

6

ComputerSimulationof

Nanomaterials

PhilipC.Clapp

1.0INTRODUCTION

Inthelastdecadeorso,thefieldofcomputersimulationof

nanomaterialshasadvancedextremelyrapidlyforseveralreasons.Thefirst

isthetremendousincreaseincomputingpower(alongwithsimulation

techniques)thathasoccurredinthistimespan,makingthesimulationof

nanoscalearrayspossible.Thesecondisthatatomicscalesimulations(such

asMolecularDynamics)areideallysuitedtoexplorenanoscalephenomenaat

atimewhenexperiment

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