Development of an interatomic potential for the Ni-Al system

References

• Yip , S . 2005 . Handbook of Materials Modeling , Dordrecht, , The Netherlands : Springer .
   Google Scholar
• Hafner , J . 2000 . Acta Mater. , 48 : 71
   Google 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
• Daw , MS . 1989 . “ Embedded-atom method: Many-body description of metallic cohesion ” . In Atomistic Simulation of Materials: Beyond Pair Potentials , Edited by: Vitek , V and Srolovitz , DJ . 181 New York : Plenum Press .
   Google Scholar
• Mishin , Y . 2004 . Acta Mater. , 52 : 1451
   Web of Science ®Google Scholar
• Williams , PL , Mishin , Y and Hamilton , JC . 2006 . Modelling Simul. Mater. Sci. Eng. , 14 : 817
   Web of Science ®Google Scholar
• Ercolessi , F and Adams , JB . 1994 . Europhys. Lett. , 26 : 583
   Google Scholar
• Mishin , Y , Farkas , D , Mehl , MJ and Papaconstantopoulos , DA . 1999 . Phys. Rev. B , 59 : 3393
   Web of Science ®Google Scholar
• Mishin , Y , Mehl , MJ , Papaconstantopoulos , DA , Voter , AF and Kress , JD . 2001 . Phys. Rev. B , 63 : 224106
   Web of Science ®Google Scholar
• Mishin , Y , Mehl , MJ and Papaconstantopoulos , DA . 2002 . Phys. Rev. B , 65 : 224114
   Web of Science ®Google Scholar
• Zope , RR and Mishin , Y . 2003 . Phys. Rev. B , 68 : 024102
   Web of Science ®Google Scholar
• Strachan , A , Cagin , T , Gülseren , O , Mukherjee , S , Cohen , RE and Goddard , WA . 2004 . Model. Simul. Mater. Sci. Eng , 12 : S445
   Web of Science ®Google Scholar
• Mishin , Y , Mehl , MJ and Papaconstantopoulos , DA . 2005 . Acta Mater. , 53 : 4029
   Web of Science ®Google Scholar
• Mishin , Y and Lozovoi , AY . 2006 . Acta Mater. , 54 : 5013
   Web of Science ®Google Scholar
• Chamati , H , Papanicolaou , N , Mishin , Y and Papaconstantopoulos , DA . 2006 . Surf. Sci. , 600 : 1793
   Web of Science ®Google Scholar
• Robertson , IJ , Heine , V and Payne , MC . 1993 . Phys. Rev. Lett. , 70 : 1944
   PubMed Web of Science ®Google Scholar
• Frederiksen , SL , Jacobsen , KW , Brown , KS and Sethna , JP . 2004 . Phys. Rev. Lett. , 93 : 165501
   PubMed Web of Science ®Google Scholar
• Behler , J and Parrinello , M . 2007 . Phys. Rev. Lett. , 98 : 146401
   PubMed Web of Science ®Google Scholar
• Sanville , E , Bholoa , A , Smith , R and Kenny , SD . 2008 . J. Phys. Condens. Matter , 20 : 285219
   Google Scholar
• Hunger , J , Beyreuther , S , Huttner , G , Allinger , K , Radelof , U and Zsoinal , L . 1998 . Euro. J. Inorganic Chem. , 6 : 693
   Google Scholar
• Marques , JMC , Prudente , FV , Pereira , FB , Almeida , MM , Maniero , AM and Fellows , CE . 2008 . J. Phys. B At. Mol. Opt. Phys. , 41 : 085103
   Web of Science ®Google Scholar
• Brenner , DW . 2000 . Phys. Status Solidi (b) , 217 : 23
   Web of Science ®Google Scholar
• Yan , M , Vitek , V and Chen , SP . 1996 . Acta Metall. Mater. , 44 : 4351
   Google Scholar
• Foiles , SM and Daw , MS . 1987 . J. Mater. Res. , 2 : 5
   Web of Science ®Google Scholar
• Voter , AF and Chen , SP . 1987 . MRS Symp. Proc. , 82 : 175
   Google Scholar
• Ludwig , M and Gumbsch , P . 1995 . Modell. Simul. Mater. Sci. Eng. , 3 : 533
   Web of Science ®Google Scholar
• Mishin , Y . 2005 . “ Interatomic potentials for metals ” . In Handbook of Materials Modeling , Edited by: Yip , S . 459 Dordrecht, , The Netherlands : Springer .
   Google Scholar
• Rice , JR and Wang , JS . 1989 . Mater. Sci. Eng. A , 107 : 23
   Web of Science ®Google Scholar
• Vitek , V . 1974 . Cryst. Latt. Def. , 5 : 1
   Google Scholar
• Veyssiere , P and Noebe , R . 1992 . Phil. Mag. A , 65 : 1
   Google Scholar
• Hong , T and Freeman , AJ . 1991 . Phys. Rev. B , 43 : 6446
   PubMed Web of Science ®Google Scholar
• Fu , CL and Yoo , MH . 1992 . Acta Metall. Mater. , 40 : 703
   Google Scholar
• Noebe , RD , Bauman , RR and Nathal , NV . 1993 . Int. Mater. Rev. , 38 : 34
   Google Scholar
• Mills , MJ and Miracle , DB . 1993 . Acta Metall. Mater. , 41 : 85
   Google Scholar
• Wu , R , Zhong , L , Chen , L and Freeman , AJ . 1996 . Phys. Rev. B , 54 : 7084
   Google Scholar
• Bradley , AJ and Taylor , A . 1937 . Proc. Roy. Soc. A , 159 : 56
   Google Scholar
• Taylor , A and Doyle , NJ . 1972 . J. Appl. Crystallogr. , 5 : 201
   Web of Science ®Google Scholar
• Korzhavyi , PA , Ruban , AV , Lozovoi , AY , Vekilov , YK , Abrikosov , IA and Johansson , B . 2000 . Phys. Rev. B , 61 : 6003
   Web of Science ®Google Scholar
• Meyer , B , Bester , G and Fähnle , M . 2001 . Scripta Mater. , 44 : 2485
   Web of Science ®Google Scholar
• Lozovoi , AY , Alavi , A , Korzhavyi , PA and Finnis , MW . 2000 . “ Properties of complex inorganic solids ” . In Point Defects in NiAl Under Pressure , Edited by: Meike , A , Gonis , A , Turchi , PEA and Rajan , K . Vol. 2 , New York : Kluwer Academic/Plenum Publishers .
   Google Scholar
• Fu , CL , Ye , YY , Yoo , MH and Ho , KM . 1993 . Phys. Rev. B , 48 : 6712
   PubMed Web of Science ®Google Scholar
• Meyer , B and Fähnle , M . 1999 . Phys. Rev. B , 59 : 6072
   Web of Science ®Google Scholar
• Mishin , Y and Farkas , D . 1997 . Phil. Mag. A , 75 : 169
   Google Scholar
• Mishin , Y and Farkas , D . 1997 . Phil. Mag. A , 75 : 187
   Google Scholar
• Lozovoi , AY and Mishin , Y . 2003 . Phys. Rev. B , 68 : 184113
   Web of Science ®Google Scholar
• Stassis , C , Kayser , FX , Loong , CK and Arch , D . 1981 . Phys. Rev. B , 24 : 3048
   Google Scholar
• Pope , DP . 1996 . “ Mechanical properties of intermetallic compounds ” . In Physical Metallurgy , Edited by: Cahn , RW and Haasen , P . 2075 Amsterdam : Elsevier/North-Holland .
   Google Scholar
• Vitek , V , Pope , DP and Bassani , JL . 1996 . “ Anomalous yield behaviour of compounds with Li2 structure ” . In Dislocations in Solids , Edited by: Nabarro , FRN and Duesbery , MS . 135 Amsterdam : Elsevier/North-Holland .
   Google Scholar
• Veyssiere , P and Saada , G . 1996 . “ Microscopy and plasticity of the Li2 γ′ phase ” . In Dislocations in Solids , Edited by: Nabarro , FRN and Duesbery , MS . 253 Amsterdam : Elsevier/North-Holland .
   Google Scholar
• Sun , YQ and Hazzledine , PM . 1996 . “ Geometry of dislocation glide in Li2 γ′-phase ” . In Dislocations in Solids , Edited by: Nabarro , FRN and Duesbery , MS . 27 Amsterdam : Elsevier/North-Holland .
   Google Scholar
• Paxton , A and Sun , YG . 1998 . Phil. Mag. A , 78 : 85
   Google Scholar
• Mryasov , ON , Gornostyrev , YN , van Schilfgaarde , M and Freeman , AJ . 2002 . Acta Mater. , 50 : 4545
   Web of Science ®Google Scholar
• Schoeck , G , Kohlhammer , S and Fahnle , M . 1999 . Phil. Mag. Lett. , 79 : 849
   Web of Science ®Google Scholar
• Kohlhammer , S , Fahnle , M and Schoeck , G . 1998 . Scripta Mater. , 39 : 359
   Web of Science ®Google Scholar
• Hemker , K and Mills , MJ . 1993 . Phil. Mag. A , 68 : 305
   Google Scholar
• Karnthaler , HP , Muhlbacher , ET and Rentenberger , C . 1996 . Acta Mater. , 44 : 547
   Web of Science ®Google Scholar
• Kruml , T , Conforto , E , Piccolo , BL , Caillard , D and Martin , JL . 2002 . Acta Mater. , 50 : 5091
   Web of Science ®Google Scholar
• Mishin , Y and Herzig , C . 2000 . Acta Mater. , 48 : 589
   Web of Science ®Google Scholar
• Sun , J and Lin , TL . 1994 . Acta Metall. Mater. , 42 : 195
   Google Scholar
• Fu , CL and Painter , GS . 1997 . Acta Mater. , 45 : 481
   Web of Science ®Google Scholar
• Massalski , TB (ed.) . 1986 . Binary Alloy Phase Diagrams , Materials Park, OH : ASM .
   Google Scholar
• Huang , W and Chang , YA . 1998 . Intermetallics , 6 : 487
   Google Scholar
• Ivanov , VA and Mishin , Y . 2008 . Phys. Rev. B , 78 : 064106
   Web of Science ®Google Scholar
• Mishin , Y , Lozovoi , AY and Alavi , A . 2003 . Phys. Rev. B , 67 : 014201
   Google Scholar
• Baskes , MI . 1987 . Phys. Rev. Lett. , 59 : 2666
   PubMed Web of Science ®Google Scholar
• Baskes , MI . 1992 . Phys. Rev. B , 46 : 2727
   PubMed Web of Science ®Google Scholar
• Kittel , C . 1986 . Introduction to Sold State Physics , New York : Wiley-Interscience .
   Google Scholar
• Hultgren , R , Desai , PD , Hawkins , DT , Gleiser , M and Kelley , KK (eds.) . 1973 . Selected Values of the Thermodynamics Properties of Binary Alloys , Metals Park, OH : ASM .
   Google Scholar
• Rusovic , N and Warlimont , H . 1977 . Phys. Status Solidi A , 44 : 609
   Web of Science ®Google Scholar
• Medvedeva , NI , Mryasov , ON , Gornostyrev , YN , Novikov , DL and Freeman , AJ . 1996 . Phys. Rev. B , 54 : 13506
   PubMed Web of Science ®Google Scholar
• Yoo , MH and Fu , CL . 1991 . Scr. Metall. Mater. , 25 : 2345
   Google Scholar
• Hanbicki , AT , Baddorf , AP , Plummer , EW , Hammer , B and Scheffler , M . 1995 . Surf. Sci. , 331–333 : 811
   Google Scholar
• Yoo , MH . 1987 . Acta Metall. , 35 : 1559
   Google Scholar
• Yoo , MH , Daw , MS and Baskes , MI . 1989 . “ Atomistic simulation of superdislocation dissociation in Ni3Al ” . In Atomistic Simulation of Materials: Beyond Pair Potentials , Edited by: Vitek , V and Srolovitz , DJ . 401 New York : Plenum Press .
   Google Scholar
• Weast , RC (ed.) . 1984 . Handbook of Chemistry and Physics , Boca Raton, FL : CRC .
   Google Scholar
• Kayser , FX and Stassis , C . 1981 . Phys. Status Solidi (a) , 64 : 335
   Web of Science ®Google Scholar
• Hultgren , R , Desai , PD , Hawkins , DT , Gleiser , M and Kelley , KK (eds.) . 1973 . Selected Values of the Thermodynamics Properties of Binary Alloys , Metals Park, OH : ASM .
   Google Scholar
• Ellner , M , Kek , S and Predel , B . 1989 . J. Less Comm. Metals , 154 : 207
   Google Scholar
• Brandes , EA (ed.) . 1983 . Smithells Metals Reference Book , Vol. 6 , London : Butterworths .
   Google Scholar
• Mostoller , M , Nicklow , RM , Zehner , DM , Lui , SC , Mundenar , JM and Plummer , EW . 1989 . Phys. Rev. B , 40 : 2856
   Google Scholar
• Touloukian , YS , Kirby , RK , Taylor , RE and Desai , PD (eds.) . 1975 . Thermal Expansion: Metallic Elements and Alloys , Vol. 12 , New York : Plenum .
   Google Scholar