Review on Crystallization Strategies for Polymer Single Crystals
CrystalsPolymer physics has evolved significantly over the past century, transitioning from the early recognition of the chain structure of polymers to a mature field integrating principles from statistical mechanics, thermodynamics, and condensed matter physics.
Tianyu Wu, Jun Xu, Haimu Ye
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Statistical mechanics of defects in polymer liquid crystals
Journal de Physique II, 1992 We develop a continuum theory for the statistical mechanics of thermally activated point defects in the nematic and hexagonal phases of polymer liquid crystals. In the nematic phase, there are elementary splay defects (chain ends and hairpins), and in the hexagonal phase, there are both splay defects and twist defects.
Selinger, Jonathan, Bruinsma, Robijn
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Mechanical Proof of the Second Law of Thermodynamics Based on Volume Entropy [PDF]
, 2007 In a previous work (M. Campisi. Stud. Hist. Phil. M. P. 36 (2005) 275-290) we have addressed the mechanical foundations of equilibrium thermodynamics on the basis of the Generalized Helmholtz Theorem.
Campisi, Michele
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Granular Crystals: Controlling Mechanical Energy with Nonlinearity and Discreteness [PDF]
, 2011 The presence of structural discreteness and periodicity can affect the propagation of phonons, sound, and other mechanical waves. A fundamental property of many of the periodic structures and materials designed for this purpose is the presence of ...
Boechler, Nicholas Sebastian
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Line-tension model for plasticity as the Gamma-limit of a nonlinear dislocation energy [PDF]
, 2012 In this paper we rigorously derive a line-tension model for plasticity as the Gamma-limit of a nonlinear mesoscopic dislocation energy, without resorting to the introduction of an ad hoc cut-off radius.
Scardia, L. +4 more
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Statistical mechanics of vacancy and interstitial strings in hexagonal columnar crystals [PDF]
Physical Review E, 2000 22 pages (revtex), 15 figures (encapsulated postscript)
Jain, Shilpa, Nelson, David R.
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Multiscale Modelling of Self-Organization of Non-Equilibrium Point Defects in Irradiated α-Zirconium
Успехи физики металлов, 2017 This work is devoted to a comprehensive detailed study of a pure zirconium with non-equilibrium point defects induced by irradiation within the framework of the multiscale modelling scheme by using quantum-mechanics methods, molecular dynamics, and the ...
V. O. Kharchenko, I. O. Lysenko, O. M. Shchokotova, A. I. Bashtova, D. O. Kharchenko, Yu. M. Ovcharenko, S. V. Kokhan, X. Wu, B. Wen, L. Wu, W. Zhang
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Statistical mechanics of crystal nuclei of hard spheres
The Journal of Chemical PhysicsIn the study of crystal nucleation via computer simulations, hard spheres are arguably the most extensively explored model system. Nonetheless, even in this simple model system, the complex thermodynamics of crystal nuclei can sometimes give rise to counterintuitive results, such as the recent observation that the pressure inside a critical nucleus is ...
Marjolein de Jager +4 more
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Nonequilibrium statistical mechanics of anharmonic crystals with self-consistent stochastic reservoirs [PDF]
Physical Review E, 2004 We consider a d-dimensional crystal with an arbitrary harmonic interaction and an anharmonic on-site potential, with stochastic Langevin heat bath at each site. We develop an integral formalism for the correlation functions that is suitable for the study of their relaxation (time decay) as well as their behavior in space. Furthermore, in a perturbative
Pereira, Emmanuel, Falcao, Ricardo
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Limit of validity of Ostwald's rule of stages in a statistical mechanical model of crystallization [PDF]
The Journal of Chemical Physics, 2011 We have only rules of thumb with which to predict how a material will crystallize, chief among which is Ostwald's rule of stages. It states that the first phase to appear upon transformation of a parent phase is the one closest to it in free energy.
Hedges, Lester O., Whitelam, Stephen
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