Analysis of semi-empirical interatomic potentials appropriate for simulation of crystalline and liquid Al and Cu

References

• Davidchack , RL and Laird , BB . 2000 . Phys. Rev. Lett. , 85 : 4751
   PubMed Web of Science ®Google Scholar
• Davidchack , RL and Laird , BB . 2003 . J. Chem. Phys. , 118 : 7651
   Web of Science ®Google Scholar
• Davidchack , RL and Laird , BB . 2005 . Phys. Rev. Lett. , 94 : 086102
   PubMed Web of Science ®Google Scholar
• Hoyt , JJ , Asta , M and Karma , A . 2001 . Phys. Rev. Lett. , 86 : 5530
   PubMed Web of Science ®Google Scholar
• Hoyt , JJ and Asta , M . 2002 . Phys. Rev. B , 65 : 214106
   Web of Science ®Google Scholar
• Hoyt , JJ , Asta , M and Karma , A . 2003 . Mater. Sci. Eng. A , 41 : 121
   Google Scholar
• Morris , JR and Song , XY . 2003 . J. Chem. Phys. , 119 : 3920
   Web of Science ®Google Scholar
• Sun , DY , Asta , M Hoyt , JJ . 2004 . Phys. Rev. B , 69 : 020102(R)
   Google Scholar
• Broughton , JQ , Gilmer , GH and Jackson , KA . 1982 . Phys. Rev Lett. , 49 : 1496
   Web of Science ®Google Scholar
• Celestini , FC and Debierre , J-M . 2000 . Phys. Rev. B , 62 : 14006
   Web of Science ®Google Scholar
• Hoyt , JJ , Sadigh , B Asta , M . 1999 . Acta Mater. , 47 : 3181
   Web of Science ®Google Scholar
• Sun , DY , Asta , M and Hoyt , JJ . 2004 . Phys. Rev. B , 69 : 174103
   Web of Science ®Google Scholar
• Celestini , F and Debierre , JM . 2002 . Phys. Rev. E , 65 : 041605
   Google Scholar
• Sheng , HW , He , JH and Ma , E . 2002 . Phys. Rev. B , 65 : 184203
   Web of Science ®Google Scholar
• Kazanc , S . 2006 . Comput. Mater. Sci. , 38 : 405
   Web of Science ®Google Scholar
• Wedekind , J , Reguera , D and Strey , R . 2006 . J. Chem. Phys. , 125 : 214505
   PubMed Web of Science ®Google Scholar
• Wang , L , Peng , C Wang , Y . 2006 . J. Phys.: Condens. Matter , 18 : 7559
   PubMed Web of Science ®Google Scholar
• Liu , J , Zhao , JZ and Hu , ZQ . 2006 . Appl. Phys. Lett. , 89 : 031903
   Google Scholar
• Wang , L , Peng , C Wang , Y . 2006 . Phys. Lett. A , 350 : 69
   Web of Science ®Google Scholar
• Aga , RS , Morris , JR Hoyt , JJ . 2006 . Phys. Rev. Lett. , 96 : 245701
   PubMedGoogle Scholar
• Finnis , MW and Sinclair , JE . 1984 . Phil. Mag. A , 50 : 45
   Google Scholar
• Daw , MS and Baskes , MI . 1984 . Phys. Rev. B , 29 : 6443
   Web of Science ®Google Scholar
• Foiles , SM , Baskes , MI and Daw , MS . 1986 . Phys. Rev. B , 33 : 7983
   PubMed Web of Science ®Google Scholar
• Igarashi , M , Khantha , M and Vitek , V . 1991 . Phil. Mag. B , 63 : 603
   Web of Science ®Google Scholar
• Ackland , GJ , Bacon , DJ Calder , AF . 1997 . Phil. Mag. A , 75 : 713
   Google Scholar
• Mendelev , MI , Han , S Srolovitz , DJ . 2003 . Phil. Mag. , 83 : 3977
   Google Scholar
• Sturgeon , JB and Laird , BB . 2000 . Phys. Rev. B , 62 : 14720
   Web of Science ®Google Scholar
• Morris , JR , Mendelev , MI and Srolovitz , DJ . 2008 . J. Non-Cryst. Solids , in press
   Google Scholar
• Waseda , Y . 1980 . The Structure of Non-crystalline Materials , New York : McGraw-Hill .
   Google Scholar
• Ercolessi , F and Adams , JB . 1994 . Europhys. Lett. , 26 : 583
   Google Scholar
• Mendelev , MI , Schmalian , J Wang , CZ . 2006 . Phys. Rev. B , 74 : 104206
   Web of Science ®Google Scholar
• Mendelev , MI , Srolovitz , DJ Ackland , GJ . 2005 . J. Mater. Res. , 20 : 208
   Web of Science ®Google Scholar
• Kresse , G and Hafner , J . 1993 . Phys. Rev. B , 47 : 558
   PubMed Web of Science ®Google Scholar
• Kresse , G and Hafner , J . 1994 . J. Phys.: Condens. Matter , 6 : 8245
   Web of Science ®Google Scholar
• Perdew , JP . 1991 . Electronic Structure of Solids '91 , Edited by: Ziesche , P and Eschrig , H . 11 Berlin : Akademie Verlag .
   Google Scholar
• Perdew , JP , Chevary , JA Vosko , SH . 1992 . Phys. Rev. B , 46 : 6671
   PubMed Web of Science ®Google Scholar
• Monkhorst , HJ and Pack , JD . 1976 . Phys. Rev. B , 13 : 5188
   Web of Science ®Google Scholar
• Methfessel , M and Paxton , AT . 1989 . Phys. Rev. B , 40 : 3616
   PubMed Web of Science ®Google Scholar
• Wang , Y , Curtarolo , S Jiang , C . 2004 . Comput. Coupl. Phase Diag. Thermochem. , 28 : 79
   Web of Science ®Google Scholar
• Balluffi , W . 1978 . J. Nucl. Mater. , 69/70 : 240
   Web of Science ®Google Scholar
• Siegel , RW . 1978 . J. Nucl. Mater. , 69/70 : 117
   Web of Science ®Google Scholar
• Sandberg , N and Grimvall , G . 2001 . Phys. Rev. B , 63 : 184109
   Google Scholar
• Margulies , L , Kramer , MJ McCallum , RW . 1999 . Rev. Sci. Instrum. , 70 : 3554
   Web of Science ®Google Scholar
• Hammersley , AP , Svensson , SO Hanfland , M . 1996 . High Press. Res. , 14 : 235
   Web of Science ®Google Scholar
• Waseda , Y and Ohtani , M . 1974 . Phys. Status Solidi B , 62 : 535
   Google Scholar
• Egami , T and Billinge , SJL . 2003 . Underneath the Bragg Peaks: Structural Analysis of Complex Materials , 404 Amsterdam : Elsevier .
   Google Scholar
• Eder , OJ , Erdpresser , E Kunsch , B . 1980 . J. Phys. F: Metal Phys. , 10 : 183
   Google Scholar
• Liu , X-Y , Ohotnicky , PP Adams , JB . 1997 . Surf. Sci. , 373 : 357
   Web of Science ®Google Scholar
• Morris , JR , Wang , CZ Ho , KM . 1994 . Phys. Rev. B , 49 : 3109
   PubMed Web of Science ®Google Scholar
• Sun , DY , Mendelev , MI Becker , CA . 2006 . Phys. Rev. B , 73 : 024116
   Web of Science ®Google Scholar
• Rose , JH , Smith , JR Guinea , F . 1984 . Phys. Rev. B , 29 : 2963
   Web of Science ®Google Scholar
• Mendelev , MI and Srolovitz , DJ . 2002 . Phys. Rev. B , 66 : 014205
   Web of Science ®Google Scholar
• Mendelev , MI and Ackland , GJ . 2007 . Phil. Mag. Lett. , 87 : 349
   Web of Science ®Google Scholar
• Mishin , Y , Mehl , MJ Papaconstantopoulos , DA . 2001 . Phys. Rev. B , 63 : 224106
   Web of Science ®Google Scholar
• Dzugutov , M . 1996 . Nature , 381 : 137
   Web of Science ®Google Scholar
• Sastry , S , Debenedetti , PG and Stillinger , FH . 1998 . Nature , 393 : 554
   Web of Science ®Google Scholar
• Mendelev , MI , Aga , RS Morris , JR . 2008 . in preparation
   Google Scholar
• Liu , CS , Zhu , ZG Xia , J . 2001 . J. Phys.: Condens. Matter , 13 : 1873
   Web of Science ®Google Scholar
• Li , GX , Liang , YF Zhu , ZG . 2003 . J. Phys.: Condens. Matter , 15 : 2259
   Web of Science ®Google Scholar
• Gangopadhyay , AK , Lee , GW Kelton , KF . 2005 . Rev. Sci. Instrum. , 76 : 073901
   Web of Science ®Google Scholar
• Holland-Moritz , D , Schenk , T Convert , P . 2005 . Meas. Sci. Technol. , 16 : 372
   Web of Science ®Google Scholar
• The first-principles calculations were performed by G.J. Ackland. The details can be found in 32
   Google Scholar
• Kittel , C . 1986 . Introduction to Solid State Physics , New York : Wiley .
   Google Scholar
• Pearson , WB . 1967 . A handbook of lattice spacings and structures of metals , Oxford : Pergamon .
   Google Scholar
• Sandberg , N , Magyari-Köpe , B and Mattsson , TR . 2002 . Phys. Rev. Lett. , 89 : 065901
   PubMed Web of Science ®Google Scholar
• Smithels , CI . 1976 . Metals Reference Book , London : Butterworths .
   Google Scholar
• Arsentev , PP . 1976 . Metallicheskie rasplavy i ikh svoistva , Moscow : Metallurgia . (in Russian)
   Google Scholar
• First principle calculations performed as part of this work
   Google Scholar
• Vitos , L , Ruban , AV Skriver , HL . 1998 . Surf. Sci. , 411 : 186
   Web of Science ®Google Scholar
• Shewmon , PG . 1963 . Diffusion in Solids , New York : McGraw-Hill .
   Google Scholar