000			02892nam a2200373 i 4500
001			CR9781139017848
003			UkCbUP
005			20230516164923.0
006			m|||||o||d||||||||
007			cr||||||||||||
008			110216s2017||||enk o ||1 0|eng|d
020			_a9781139017848 (ebook)
020			_z9780521190091 (hardback)
040			_aUkCbUP _beng _erda _cUkCbUP
050	0	0	_aQC174.86.N65 _bT63 2017
082	0	0	_a541/.394 _223
100	1		_aTodd, Billy D., _eauthor. _968206
245	1	0	_aNonequilibrium molecular dynamics : _btheory, algorithms and applications / _cBilly D. Todd, Swinburne University of Technology, Peter J. Daivis, Royal Melbourne Institute of Technology.
264		1	_aCambridge : _bCambridge University Press, _c2017.
300			_a1 online resource (x, 359 pages) : _bdigital, PDF file(s).
336			_atext _btxt _2rdacontent
337			_acomputer _bc _2rdamedia
338			_aonline resource _bcr _2rdacarrier
500			_aTitle from publisher's bibliographic system (viewed on 18 Apr 2017).
505	0		_aNonequilibrium thermodynamics -- Statistical mechanical foundations -- Temperature and thermodynamic fluxes -- Homogeneous flows for atomic fluids: theory -- Homogeneous flows for atomic fluids: applications -- Homogeneous heat and mass transport -- Homogeneous flows for molecular fluids -- Inhomogeneous flows for atomic fluids -- Confined molecular fluids -- Generalised hydrodynamics and slip.
520			_aWritten by two specialists with over twenty-five years of experience in the field, this valuable text presents a wide range of topics within the growing field of nonequilibrium molecular dynamics (NEMD). It introduces theories which are fundamental to the field - namely, nonequilibrium statistical mechanics and nonequilibrium thermodynamics - and provides state-of-the-art algorithms and advice for designing reliable NEMD code, as well as examining applications for both atomic and molecular fluids. It discusses homogenous and inhomogenous flows and pays considerable attention to highly confined fluids, such as nanofluidics. In addition to statistical mechanics and thermodynamics, the book covers the themes of temperature and thermodynamic fluxes and their computation, the theory and algorithms for homogenous shear and elongational flows, response theory and its applications, heat and mass transport algorithms, applications in molecular rheology, highly confined fluids (nanofluidics), the phenomenon of slip and how to compute it from basic microscopic principles, and generalized hydrodynamics.
650		0	_aNonequilibrium statistical mechanics. _920165
650		0	_aNonequilibrium thermodynamics. _93584
650		0	_aMolecular dynamics. _93975
700	1		_aDaivis, Peter J., _eauthor. _968207
776	0	8	_iPrint version: _z9780521190091
856	4	0	_uhttps://doi.org/10.1017/9781139017848
942			_cEBK
999			_c82288 _d82288