000			01700nam a2200241 a 4500
001			vtls000075605
003			KUKTEM
005			20251125095633.0
008			131018t2013 enka f 001 0 eng d
020			_a9780521845878 (hardback)
039		9	_a201410021134 _bsaini _y201310181013 _zida
040			_aUMP
090			_aTA404.23 .L47 2013
100	1		_aLeSar, R.
245	1	0	_aIntroduction to computational materials science : _bfundamentals to applications / _cRichard LeSar
260			_aCambridge : _bCambridge University Press, _c2013
300			_axiii, 414 p. : _bill. ; _c25 cm.
504			_aIncludes bibliographical references and index
505	0		_a1. Materials modelling and simulation -- Part I. Some Basics: 2. The random walk model -- 3. Simulation of finite systems -- Part II. Atoms and Molecules: 4. Electronic structure methods -- 5. Interatomic potentials -- 6. Molecular dynamics -- 7. The Monte Carlo method -- 8. Molecular and macromolecular systems -- Part III. Mesoscopic Methods -- 9. Kinetic Monte Carlo -- 10. Monte Carlo methods at the mesoscale -- 11. Cellular automata -- 12. Phase-field methods -- 13. Mesoscale dynamics -- Part IV. Some Final Words -- 14. Materials selection and design -- Part V. Appendices: A. Energy units -- B. Introduction to materials -- C. Mathematical background -- D. Classical mechanics -- E. Electrostatics -- F. Quantum mechanics -- G. Statistical thermodynamics and kinetics -- H. Linear elasticity -- I. Introduction to computation
650		0	_aMaterials science _xData processing
650		0	_aMaterials science _xSimulation methods
999			_aVIRTUA40 _c73327 _d73333
999			_aVTLSSORT0080*0200*0400*0900*1000*2450*2600*3000*5040*5050*6500*6501*9992