Quasiharmonic elastic constants corrected for deviatoric thermal stresses
نویسندگان
چکیده
Pierre Carrier,1 João F. Justo,2 and Renata M. Wentzcovitch1 1Minnesota Supercomputing Institute, Department of Chemical Engineering and Materials Science, University of Minnesota, Minneapolis, Minnesota 55455, USA 2Escola Politécnica, Universidade de São Paulo, CP 61548, CEP 05424-970 São Paulo, SP, Brazil and Chemical Engineering and Materials Science Department, University of Minnesota, Minneapolis, Minnesota 55455, USA Received 6 August 2008; revised manuscript received 23 September 2008; published 21 October 2008
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