000			03153nam a22004335i 4500
001			978-3-642-15439-3
003			DE-He213
005			20140220083747.0
007			cr nn 008mamaa
008			110104s2011 gw | s |||| 0|eng d
020			_a9783642154393 _9978-3-642-15439-3
024	7		_a10.1007/978-3-642-15439-3 _2doi
050		4	_aQC176-176.9
072		7	_aPNFS _2bicssc
072		7	_aSCI077000 _2bisacsh
082	0	4	_a530.41 _223
100	1		_aRace, Christopher. _eauthor.
245	1	4	_aThe Modelling of Radiation Damage in Metals Using Ehrenfest Dynamics _h[electronic resource] / _cby Christopher Race.
264		1	_aBerlin, Heidelberg : _bSpringer Berlin Heidelberg : _bImprint: Springer, _c2011.
300			_aXVI, 303 p. 134 illus., 7 illus. in color. _bonline resource.
336			_atext _btxt _2rdacontent
337			_acomputer _bc _2rdamedia
338			_aonline resource _bcr _2rdacarrier
347			_atext file _bPDF _2rda
490	1		_aSpringer Theses, Recognizing Outstanding Ph.D. Research, _x2190-5053
505	0		_aIntroduction -- A Radiation Damage Cascade -- Electronic Excitations in Radiation Damage – a Review -- Theoretical Background -- Simulating Radiation Damage in Metals. A Framework for Simulating Radiation Damage in Metals -- The Single Oscillating Ion -- Semi-calssical Simulations of Collision Cascades -- The Nature of the Electronic Excitations -- The Electronic Forces -- Channelling Ions -- The Electronic Drag Force.-Concluding Remarks -- A. Selected Proofs -- B. Petrubation Theory -- C. The coupling Matrix for a Single Oscillating Ion -- D. Some Features of the Electronic Excitation Spectrum -- E. The Strain on an Inclusion due to Electronic Heating -- Bibliography -- Index.
520			_aAtomistic simulations of metals under irradiation are indispensable for understanding damage processes at time- and length-scales beyond the reach of experiment. Previously, such simulations have largely ignored the effect of electronic excitations on the atomic dynamics, even though energy exchange between atoms and electrons can have significant effects on the extent and nature of radiation damage. This thesis presents the results of time-dependent tight-binding simulations of radiation damage, in which the evolution of a coupled system of energetic classical ions and quantum mechanical electrons is correctly described. The effects of electronic excitations in collision cascades and ion channelling are explored and a new model is presented, which makes possible the accurate reproduction of non-adiabatic electronic forces in large-scale classical molecular dynamics simulations of metals.
650		0	_aPhysics.
650	1	4	_aPhysics.
650	2	4	_aSolid State Physics.
650	2	4	_aTheoretical, Mathematical and Computational Physics.
710	2		_aSpringerLink (Online service)
773	0		_tSpringer eBooks
776	0	8	_iPrinted edition: _z9783642154386
830		0	_aSpringer Theses, Recognizing Outstanding Ph.D. Research, _x2190-5053
856	4	0	_uhttp://dx.doi.org/10.1007/978-3-642-15439-3
912			_aZDB-2-PHA
999			_c107056 _d107056