EMES (a) Termes ?1, ?2 et ?3. (b) Termes ?4, pp.5-6 ,
´ Etude par simulation moléculaire de la solubilité et de la diffusion de gaz dans des matrices polymères, 2007. ,
Transition regions and surface melting in partially crystalline polyethylene: A raman spectroscopic study, Journal of Polymer Science Part B: Polymer Physics, vol.31, issue.1, pp.99-105, 1993. ,
DOI : 10.1002/polb.1993.090310113
Use of SAXS and linear correlation functions for the determination of the crystallinity and morphology of semi-crystalline polymers. Application to linear polyethylene, Journal of Polymer Science Part B: Polymer Physics, vol.35, issue.14, pp.1715-1738, 1999. ,
DOI : 10.1016/0168-9002(94)01542-2
Evidence for a partially ordered component in polyethylene from wide-angle X-ray diffraction, Polymer, vol.42, issue.2, pp.667-680, 2001. ,
DOI : 10.1016/S0032-3861(00)00364-5
A new three-phase model to estimate the effective elastic properties of semi-crystalline polymers: Application to PET, Mechanics of Materials, vol.42, issue.1, pp.1-10, 2010. ,
DOI : 10.1016/j.mechmat.2009.04.012
URL : https://hal.archives-ouvertes.fr/hal-00506682
General procedure for evaluating amorphous scattering and crystallinity from X-ray diffraction scans of semicrystalline polymers, Polymer, vol.31, issue.6, pp.31996-1002, 1990. ,
DOI : 10.1016/0032-3861(90)90243-R
Morphology of crystalline polymers and methods for its investigation, Polymer Structure Characterization: From Nano To Macro Organization, pp.107-140, 2007. ,
A direct method to determine the degree of crystallinity and lamellar thickness of polymers: application to polyethylene, Polymer, vol.35, issue.21, pp.354537-4544, 1994. ,
DOI : 10.1016/0032-3861(94)90799-4
´ Etude du comportement dupolyéthyì ene haute densité sous irradiation ultraviolette ou sollicitation mécanique par spectroscopie de fluorescence ,
Caractérisation mécanique et modélisation thermodynamique du comportement anisotrope dupolyéthyì enè a haute densité. Intégration des effets d'endommagement, 2007. ,
IntroductionàIntroductionà la mécanique des polymères -chapitres Structure et mécanique des polymères semi-cristallins et Mécanismes microscopiques de déformations des polymères semi-cristallins ,
Compréhension des mécanismes physiques de fatigue dans le polyamide vierge et renforcé de fibres de verre, 2009. ,
Influence de la topologie moléculaire et de la microstructure sur les propriétés mécaniques desPolyéthyì enes, 2009. ,
The crystal structure of long-chain normal paraffin hydrocarbons. The ???shape??? of the <CH2 group, Trans. Faraday Soc., vol.35, issue.0, pp.482-491, 1939. ,
DOI : 10.1039/TF9393500482
Monoclinic-to-orthorhombic transformation in polyethylene, Journal of Polymer Science Part B: Polymer Physics, vol.26, issue.11, pp.2267-2277, 1988. ,
DOI : 10.1002/polb.1988.090261107
Analyse expérimentale et numérique multi-´ echelles des champs mécaniques dans un polymère semi-cristallin ,
Small-angle neutron scattering studies of molten and crystalline polyethylene, Polymer, vol.17, issue.9, pp.751-757, 1976. ,
DOI : 10.1016/0032-3861(76)90028-8
Chain conformation in the crystalline state by means of neutron scattering methods, Faraday Discussions of the Chemical Society, vol.68, pp.263-278, 1979. ,
DOI : 10.1039/dc9796800263
Monte Carlo calculation of SANS for various models of semicrystalline polyethylene, Faraday Discussions of the Chemical Society, vol.68, pp.297-309, 1979. ,
DOI : 10.1039/dc9796800297
General discussion Molecular morphology in semicrystalline polymers, Faraday Discussions of the Chemical Society, vol.68, pp.389-394, 1979. ,
The interphase in lamellar semicrystalline polymers, Macromolecules, vol.17, issue.4, pp.862-868, 1984. ,
DOI : 10.1021/ma00134a055
Studying deformation behavior of a single spherulite with in-situ infrared microspectroscopic imaging, Polymer, vol.53, issue.2, pp.640-647, 2012. ,
DOI : 10.1016/j.polymer.2011.12.009
Solid-state NMR characterization of polymer chain structure and dynamics in polymer crystals. Encyclopedia of Polymers and Composite, 2014. ,
C Double Quantum NMR, ACS Macro Letters, vol.2, issue.6, pp.501-505, 2013. ,
DOI : 10.1021/mz300630j
Elucidation of the Chain-Folding Structure of a Semicrystalline Polymer in Single Crystals by Solid-State NMR, ACS Macro Letters, vol.3, issue.6, pp.556-559, 2014. ,
DOI : 10.1021/mz500196s
C Double-Quantum NMR, Macromolecules, vol.48, issue.10, pp.483282-3293, 2015. ,
DOI : 10.1021/acs.macromol.5b00079
Direct Imaging of Polyethylene Films at Single-Chain Resolution with Torsional Tapping Atomic Force Microscopy, Physical Review Letters, vol.107, issue.19, 2011. ,
DOI : 10.1039/b718433f
Molecular Conformation at the Crystal???Amorphous Interface in Polyethylene, Macromolecules, vol.48, issue.17, pp.6160-6165, 2015. ,
DOI : 10.1021/ma5025736
Polyethylene {201} crystal surface: interface stresses and thermodynamics, Polymer, issue.15, pp.475494-5504, 2006. ,
Microstructure of banded polymer spherulites: New insights from synchrotron nanofocus x-ray scattering Polymer Crystallization II: From Chain Microstructure to Processing, pp.95-126, 2017. ,
Polymer Spherulites: A Modern Assessment, Journal of Macromolecular Science, Part B, vol.42, issue.2, pp.227-256, 2003. ,
DOI : 10.1081/MB-120017116
General discussion, Faraday Discussions of the Chemical Society, vol.68, pp.404-405, 1979. ,
General Discussion, Philosophical Transactions of the Royal Society B: Biological Sciences, vol.309, issue.1138, pp.483-483, 1979. ,
DOI : 10.1098/rstb.1985.0090
Small-angle neutron scattering by semicrystalline polyethylene, Polymer, vol.18, issue.5, pp.509-513, 1977. ,
DOI : 10.1016/0032-3861(77)90170-7
Raman spectroscopic method for determining the crystallinity of polyethylene, Journal of Polymer Science: Polymer Physics Edition, vol.16, issue.7, pp.1181-1193, 1978. ,
DOI : 10.1002/pol.1978.180160704
Study of the molecular motions of polyethylene by line-shape analysis of broad-line proton NMR spectra, Journal of Polymer Science: Polymer Physics Edition, vol.16, issue.9, pp.1611-1634, 1978. ,
DOI : 10.1002/pol.1978.180160907
The interphase thickness of linear polyethylene, Macromolecules, vol.23, issue.21, pp.4721-4723, 1990. ,
DOI : 10.1021/ma00223a034
Phase structure of lamellar crystalline polyethylene by solid-state high-resolution carbon-13 NMR detection of the crystalline-amorphous interphase, Macromolecules, vol.19, issue.3, pp.636-643, 1986. ,
DOI : 10.1021/ma00157a026
Melting temperature and change of lamellar thickness with time for bulk polyethylene, Journal of Research of the National Bureau of Standards Section A: Physics and Chemistry, vol.67, issue.5, pp.67-441, 1963. ,
DOI : 10.6028/jres.067A.046
Kinetic of crystallization from the melt and chain folding in polyethylene fractions revisited: theory and experiment, Polymer, vol.38, issue.13, pp.3151-3212, 1997. ,
DOI : 10.1016/S0032-3861(97)00071-2
Effect of crystallization temperature and molecular weight on the melting temperature of linear polyethylene, The Journal of Physical Chemistry, vol.71, issue.12, pp.713833-3841, 1967. ,
DOI : 10.1021/j100871a018
The Physics of Glassy Polymers, pp.1-31, 1997. ,
The Glass Temperature of Linear Polyethylene, Macromolecules, vol.3, issue.2, pp.242-252, 1970. ,
DOI : 10.1021/ma60014a023
Dynamic mechanical relaxations in polyethylene, Macromolecules, vol.18, issue.6, pp.1302-1309, 1985. ,
DOI : 10.1021/ma00148a045
Die kristallinitätsabhängigkeit der dynamisch-mechanischen eigenschaften von linearem polyäthylen. Kolloid-Zeitschrift und Zeitschrift für Polymere, pp.394-401, 1973. ,
DOI : 10.1007/bf01498685
Toughness mechanism in semi-crystalline polymer blends: II. High-density polyethylene toughened with calcium carbonate filler particles, Polymer, vol.40, issue.9, pp.2347-2365, 1999. ,
DOI : 10.1016/S0032-3861(98)00444-3
Effect of Crystallinity on the Dynamic Mechanical Properties of Polyethylenes, Journal of Applied Physics, vol.9, issue.5, pp.1209-1212, 1954. ,
DOI : 10.1021/ja01120a006
Polyethylene yielding behaviour: What is behind the correlation between yield stress and crystallinity?, Polymer, vol.50, issue.15, pp.3755-3761, 2009. ,
DOI : 10.1016/j.polymer.2009.05.017
Dependence of slow crack growth in polyethylene on butyl branch density: Morphology and theory, Journal of Polymer Science Part B: Polymer Physics, vol.29, issue.1, pp.129-137, 1991. ,
DOI : 10.1002/polb.1991.090290116
Small strain behavior of polyethylene: In situ SAXS measurements, Journal of Polymer Science Part B: Polymer Physics, vol.44, issue.13, pp.481535-1542, 2010. ,
DOI : 10.1002/polb.22024
URL : https://hal.archives-ouvertes.fr/hal-00499328
Elastic moduli of the crystal lattices of polymers, Journal of Polymer Science Part C: Polymer Symposia, vol.3, issue.1, pp.75-91, 1967. ,
DOI : 10.1295/koron1944.20.225
Calculation of Three-Dimensional Elastic Constants of Polymer Crystals. 1. Method of Calculation, Macromolecules, vol.11, issue.5, pp.908-913, 1978. ,
DOI : 10.1021/ma60065a013
Calculation of Three-Dimensional Elastic Constants of Polymer Crystals. 2. Application to Orthorhombic Polyethylene and Poly(vinyl alcohol), Macromolecules, vol.11, issue.5, pp.914-918, 1978. ,
DOI : 10.1021/ma60065a014
Elastic modulus of crystalline regions of polyethylene with different microstructures: Experimental proof of homogeneous stress distribution, Journal of Macromolecular Science, Part B, vol.30, issue.1, pp.1-23, 1991. ,
DOI : 10.1080/00222349108245780
Elastic modulus of polyethylene in the crystal chain direction as measured by x-ray diffraction, Macromolecules, vol.19, issue.7, pp.2036-2040, 1986. ,
DOI : 10.1021/ma00161a042
Temperature dependence of the elastic modulus of crystalline regions of polyethylene with different microstructures - explanation with the kinked-chain model, Journal of Macromolecular Science, Part B, vol.31, issue.2, pp.191-214, 1992. ,
DOI : 10.1080/00222349208215512
Elastic moduli of ultradrawn polyethylene, Journal of Polymer Science: Polymer Physics Edition, vol.23, issue.9, pp.1759-1780, 1985. ,
DOI : 10.1002/pol.1985.180230903
Preparation of ultra-high modulus polyethylene films by the zone-annealing method, Polymer, vol.29, issue.5, pp.814-820, 1988. ,
DOI : 10.1016/0032-3861(88)90138-3
Micromechanical modeling of the elasto-viscoplastic behavior of semicrystalline polymers, Journal of the Mechanics and Physics of Solids, issue.3, pp.51519-541, 2003. ,
Micromechanical modeling of elastic properties in polyolefins, Polymer, vol.45, issue.7, pp.2433-2442, 2004. ,
DOI : 10.1016/j.polymer.2004.01.028
Tensile deformation of high strength and high modulus polyethylene fibers, Colloid and Polymer Science, vol.10, issue.8, pp.747-763, 1991. ,
DOI : 10.1007/BF00283106
Molecular orbital studies of polyethylene deformation, Journal of Polymer Science Part B: Polymer Physics, vol.34, issue.3, pp.449-457, 1996. ,
DOI : 10.1002/(SICI)1099-0488(199602)34:3<449::AID-POLB5>3.0.CO;2-O
Morphology and mechanical properties in semicrystalline polymers, Pure and Applied Chemistry, vol.39, issue.12, pp.179-194, 1974. ,
DOI : 10.1351/pac197439010179
Die isotherme kompressibilität einiger amorpher und teilkristalliner hochpolymerer im temperaturbereich von 20- 250°c und bei drucken bis zu 2000 kp/cm2, Kolloid-Zeitschrift und Zeitschrift für Polymere, pp.110-120, 1962. ,
DOI : 10.1007/bf02657207
SAXS and WAXS, Macromolecules, vol.48, issue.7, pp.482149-2160, 2015. ,
DOI : 10.1021/acs.macromol.5b00181
Evaluation of different methods for the determination of the plateau modulus and the entanglement molecular weight, Polymer, vol.47, issue.13, pp.474461-4479, 2006. ,
DOI : 10.1016/j.polymer.2006.04.054
Mechanische relaxationserscheinungen an hochpolymeren . Kolloid-Zeitschrift, pp.149-189, 1953. ,
DOI : 10.1007/bf01521621
Calculation of the elastic constants and the lattice energy of the polyethylene crystal, Journal of Polymer Science Part C: Polymer Symposia, vol.23, issue.1, pp.55-74, 1967. ,
DOI : 10.1088/0370-1298/65/5/307
Struktur-und konformationsberechnung in polymeren : II. idealkristall und defektzustand (bündelmodell) von polyäthylen, Aktuelle Probleme der Polymer-Physik I, pp.985-993, 1970. ,
DOI : 10.1007/bf02137403
Statistical Mechanics of Elasticity, Journal of Applied Mechanics, vol.51, issue.3, 2012. ,
DOI : 10.1115/1.3167709
Simulation of the temperature dependence of mechanical properties of polyethylene, The Journal of Physical Chemistry, vol.98, issue.4, pp.1222-1231, 1994. ,
DOI : 10.1021/j100055a030
The Elastic Behaviour of a Crystalline Aggregate, Proceedings of the Physical Society. Section A, p.349, 1952. ,
DOI : 10.1088/0370-1298/65/5/307
Quantum mechanical calculation of the longitudinal elastic modulus and of deviations from Hooke???s law in polyethylene, The Journal of Chemical Physics, vol.41, issue.9, pp.5071-5076, 1986. ,
DOI : 10.1016/0032-3861(70)90030-3
Regarding the ultimate Young's modulus of a single polyethylene chain, Macromolecules, vol.26, issue.16, pp.4376-4378, 1993. ,
DOI : 10.1021/ma00068a048
Atomistic Simulation of Polymer Melt Elasticity:?? Calculation of the Free Energy of an Oriented Polymer Melt, Macromolecules, vol.31, issue.18, pp.316310-6332, 1998. ,
DOI : 10.1021/ma9714878
Molecular dynamics simulations of deformation mechanisms of amorphous polyethylene, Polymer, vol.51, issue.25, pp.516071-6083, 2010. ,
DOI : 10.1016/j.polymer.2010.10.009
-eicosane, The Journal of Chemical Physics, vol.32, issue.5, pp.2301-2309, 2002. ,
DOI : 10.1039/f19898503221
Molecular simulation of crystal growth in long alkanes, Polymer, vol.46, issue.20, pp.8689-8702, 2005. ,
DOI : 10.1016/j.polymer.2005.02.130
Molecular simulation of crystal nucleation in n-octane melts, The Journal of Chemical Physics, issue.13, p.131134902, 2009. ,
Molecular dynamics simulation of orientation and crystallization of polyethylene during uniaxial extension, Polymer, vol.44, issue.5, pp.1771-1779, 2003. ,
DOI : 10.1016/S0032-3861(03)00017-X
Effect of the molecular structure of semicrystalline polyethylene on mechanical properties studied by molecular dynamics, Journal of Applied Polymer Science, vol.109, issue.6, pp.4358-4367, 2012. ,
DOI : 10.1063/1.477302
URL : https://hal.archives-ouvertes.fr/hal-00682025
Equation of State Calculations by Fast Computing Machines, The Journal of Chemical Physics, vol.21, issue.6, pp.1087-1092, 1953. ,
DOI : 10.1063/1.1700747
Molecular simulation of the intercrystalline phase of chain molecules, The Journal of Chemical Physics, vol.109, issue.16, pp.6523-6526, 1998. ,
DOI : 10.1021/ma60059a006
Simulation study of semi-crystalline polymer interphases, Macromolecular Symposia, pp.71-99, 1998. ,
DOI : 10.1021/ma960678s
IMPLICATIONS OF METASTABILITY FOR THE CRYSTAL/AMORPHOUS INTERFACE FROM MOLECULAR SIMULATION, Journal of Macromolecular Science, Part B, vol.41, issue.4, pp.4-6, 2002. ,
DOI : 10.1081/MB-120013073
Temperature-Dependent Elasticity of a Semicrystalline Interphase Composed of Freely Rotating Chains, Macromolecules, vol.36, issue.19, pp.7358-7365, 2003. ,
DOI : 10.1021/ma0346658
Temperature-Dependent Thermal and Elastic Properties of the Interlamellar Phase of Semicrystalline Polyethylene by Molecular Simulation, Macromolecules, vol.39, issue.1, pp.439-447, 2006. ,
DOI : 10.1021/ma0518961
Plastic Deformation of Semicrystalline Polyethylene by Molecular Simulation, Macromolecules, vol.44, issue.8, pp.3096-3100, 2011. ,
DOI : 10.1021/ma1026115
Plastic Deformation of Semicrystalline Polyethylene under Extension, Compression, and Shear Using Molecular Dynamics Simulation, Macromolecules, vol.47, issue.7, pp.472515-2528, 2014. ,
DOI : 10.1021/ma402297a
Plastic Deformation of Semicrystalline Polyethylene by X-ray Scattering: Comparison with Atomistic Simulations, Macromolecules, vol.46, issue.13, pp.465279-5289, 2013. ,
DOI : 10.1021/ma4005007
Molecular Dynamics Simulation of Homogeneous Crystal Nucleation in Polyethylene, Macromolecules, vol.46, issue.11, pp.464723-4733, 2013. ,
DOI : 10.1021/ma4004659
Mechanical and Structural Characterization of Semicrystalline Polyethylene under Tensile Deformation by Molecular Dynamics Simulations, Macromolecules, vol.48, issue.12, pp.484228-4239, 2015. ,
DOI : 10.1021/acs.macromol.5b00697
Marshall Rosenbluth and the Metropolis algorithm, Physics of Plasmas, vol.12, issue.5, p.57303, 2005. ,
DOI : 10.1063/1.1743956
The beginning of the monte-carlo method, Los Alamos Science, issue.15, pp.125-130, 1987. ,
Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules, Physical Review, vol.30, issue.1, p.98, 1967. ,
DOI : 10.1016/0031-8914(64)90224-1
Molecular dynamics with coupling to an external bath, The Journal of Chemical Physics, vol.15, issue.8, pp.813684-3690, 1984. ,
DOI : 10.1039/fs9821700055
Simple Quantitative Tests to Validate Sampling from Thermodynamic Ensembles, Journal of Chemical Theory and Computation, vol.9, issue.2, pp.909-926, 2013. ,
DOI : 10.1021/ct300688p
A molecular dynamics method for simulations in the canonical ensemble, Molecular Physics, vol.79, issue.2, pp.255-268, 1984. ,
DOI : 10.1063/1.446137
Canonical dynamics: equilibrium phase-space distributions Nosé-hoover chains: the canonical ensemble via continuous dynamics, Physical Review A The Journal of Chemical Physics, vol.31, issue.974, pp.16952635-2643, 1985. ,
Molecular dynamics, 1986. ,
The Statistical Mechanical Theory of Transport Processes. IV. The Equations of Hydrodynamics, The Journal of Chemical Physics, vol.18, issue.6, pp.817-829, 1950. ,
DOI : 10.1063/1.1747099
Molecular dynamics simulations at constant pressure and/or temperature, The Journal of Chemical Physics, vol.72, issue.4, pp.2384-2393, 1980. ,
DOI : 10.1063/1.1699114
Crystal Structure and Pair Potentials: A Molecular-Dynamics Study, Physical Review Letters, vol.44, issue.14, p.1196, 1980. ,
DOI : 10.1103/PhysRevLett.44.277
Polymorphic transitions in single crystals: A new molecular dynamics method, Journal of Applied Physics, vol.52, issue.12, pp.7182-7190, 1981. ,
DOI : 10.1103/PhysRevA.22.1690
Strain fluctuations and elastic constants, The Journal of Chemical Physics, vol.42, issue.5, pp.2662-2666, 1982. ,
DOI : 10.1063/1.1662858
Rapid estimation of elastic constants by molecular dynamics simulation under constant stress, Physical Review B, vol.68, issue.13, p.134103, 2004. ,
DOI : 10.1103/PhysRevB.68.245402
Molecular dynamics equations of motion for systems varying in shape and size, The Journal of Chemical Physics, vol.79, issue.10, pp.5128-5130, 1983. ,
DOI : 10.1119/1.12929
Explicit reversible integrators for extended systems dynamics, Molecular Physics, vol.87, issue.5, pp.1117-1157, 1996. ,
DOI : 10.1038/365330a0
Abstract, Zeitschrift f??r Naturforschung A, vol.64, issue.3-4, pp.200-204, 2009. ,
DOI : 10.1515/zna-2009-3-406
Computer simulation of liquids, 1989. ,
Anisotropic elasticity: theory and applications. Number 45, 1996. ,
DOI : 10.1115/1.2787237
The relation between single crystal elasticity and the effective elastic behaviour of polycrystalline materials: theory, measurement and computation, Modelling and Simulation in Materials Science and Engineering, vol.7, issue.6, p.909, 1999. ,
DOI : 10.1088/0965-0393/7/6/301
Isothermal elastic constants for argon. theory and Monte Carlo calculations, Physica, vol.42, issue.3, pp.388-397, 1969. ,
DOI : 10.1016/0031-8914(69)90031-7
Generalized expressions for the calculation of elastic constants by computer simulation, Journal of Applied Physics, vol.31, issue.8, pp.2991-2997, 1989. ,
DOI : 10.1063/1.341877
Isothermal stress and elasticity tensors for ions and point dipoles using Ewald summations, Physical Review E, vol.71, issue.6, p.71061102, 2005. ,
DOI : 10.1063/1.1605941
Expressions for the stress and elasticity tensors for angle-dependent potentials, The Journal of Chemical Physics, vol.4, issue.14, p.125144506, 2006. ,
DOI : 10.1103/PhysRevB.58.12649
A new look at the atomic level virial stress: on continuum-molecular system equivalence, Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, vol.459, issue.2037, pp.4592347-2392, 2003. ,
DOI : 10.1098/rspa.2003.1127
Continuum interpretation of virial stress in molecular simulations, International Journal of Solids and Structures, vol.45, issue.14-15, pp.4340-4346, 2008. ,
DOI : 10.1016/j.ijsolstr.2008.03.016
How to Compute the Atomic Stress Objectively?, Journal of Computational and Theoretical Nanoscience, vol.6, issue.5, p.1081, 2009. ,
DOI : 10.1166/jctn.2009.1148
Microscopic and macroscopic stress with gravitational and rotational forces, Physical Review E, vol.459, issue.3, p.36709, 2009. ,
DOI : 10.1086/112164
The virial theorem and stress calculation in molecular dynamics, The Journal of Chemical Physics, vol.40, issue.3, pp.1375-1382, 1979. ,
DOI : 10.1088/0022-3719/3/10/004
Pressure tensor for inhomogeneous fluids, Physical Review E, vol.41, issue.2, p.1627, 1995. ,
DOI : 10.1103/PhysRevA.41.6830
Local elastic constants in thin films of an fcc crystal, Physical Review E, vol.96, issue.3, p.31601, 2003. ,
DOI : 10.1063/1.462456
Calculation of local mechanical properties of filled polymers, Physical Review E, vol.92, issue.3, p.75031803, 2007. ,
DOI : 10.1038/35070517
Importance of Force Decomposition for Local Stress Calculations in Biomembrane Molecular Simulations, Journal of Chemical Theory and Computation, vol.10, issue.2, pp.691-702, 2014. ,
DOI : 10.1021/ct4008926
Monte Carlo grand canonical ensemble calculation in a gas-liquid transition region for 12-6 Argon, Journal of Computational Physics, vol.17, issue.4, pp.401-414, 1975. ,
DOI : 10.1016/0021-9991(75)90042-X
Measurements of X-Ray Lattice Constant, Thermal Expansivity, and Isothermal Compressibility of Argon Crystals, Physical Review, vol.50, issue.2, p.703, 1966. ,
DOI : 10.1103/PhysRev.50.101
X???Ray Diffraction Study of Solid Argon, The Journal of Chemical Physics, vol.46, issue.4, pp.1078-1081, 1964. ,
DOI : 10.1063/1.1733125
Applications of molecular simulation in the oil and gas industry: Monte Carlo methods, 2005. ,
URL : https://hal.archives-ouvertes.fr/hal-00107880
Fast Parallel Algorithms for Short-Range Molecular Dynamics, Journal of Computational Physics, vol.117, issue.1, pp.1-19, 1995. ,
DOI : 10.1006/jcph.1995.1039
URL : http://www.cs.sandia.gov/~sjplimp/papers/jcompphys95.ps.gz
Viscosity of the 1-ethyl-3- methylimidazolium bis(trifluoromethylsulfonyl)imide ionic liquid from equilibrium and nonequilibrium molecular dynamics, Physical Chemistry Chemical Physics, vol.12, issue.4, pp.930-936, 2010. ,
Fluctuation formula for elastic constants, Physical Review B, vol.28, issue.1, 1996. ,
DOI : 10.1103/PhysRevB.28.3160
Computer Simulation of the Mechanical Properties of Amorphous Polymer Nanostructures, Nano Letters, vol.3, issue.10, pp.1405-1410, 2003. ,
DOI : 10.1021/nl034458l
Second-order elastic constants for the Lennard-Jones solid, Physical Review B, vol.103, issue.8, p.4368, 1984. ,
DOI : 10.1016/0009-2614(83)87482-X
Some Monte Carlo calculations for the Lennard-Jones solid, Physical Review B, vol.31, issue.6, p.3160, 1983. ,
DOI : 10.1016/0022-3697(70)90061-2
Monte Carlo simulations in the isoenthalpic-isotension-isobaric ensemble, Physical Review A, vol.56, issue.8, p.4645, 1992. ,
DOI : 10.1063/1.334097
Elastic constants and statistical ensembles in molecular dynamics, Computer Physics Reports, vol.8, issue.3, pp.109-151, 1988. ,
DOI : 10.1016/0167-7977(88)90009-3
Calculation of elastic constants using isothermal molecular dynamics, Physical Review B, vol.31, issue.2, p.895, 1986. ,
DOI : 10.1103/PhysRevB.31.7662
Molecular dynamics calculation of elastic constants for a crystalline system in equilibrium, Physical Review B, vol.30, issue.2, p.733, 1985. ,
DOI : 10.1103/PhysRevA.30.616
Elastic compliances and stiffnesses of the fcc Lennard-Jones solid, Physical Review B, vol.27, issue.10, p.6795, 1993. ,
DOI : 10.1016/0375-9601(68)91011-6
Ultrasonic Velocities in Solid Argon, Physical Review, vol.78, issue.2, p.689, 1966. ,
DOI : 10.1088/0370-1328/78/6/347
Variation with temperature of the velocity of transverse elastic waves in solid argon, Philosophical Magazine, vol.46, issue.108, pp.1053-1057, 1964. ,
DOI : 10.1088/0370-1328/82/6/302
Determination of the elastic constants of argon, Physics Letters A, vol.27, issue.10, pp.695-696, 1968. ,
DOI : 10.1016/0375-9601(68)91011-6
Measurement of the elastic constants of argon from 3 to 77 degrees K, Journal of Physics C: Solid State Physics, vol.3, issue.3, p.510, 1970. ,
DOI : 10.1088/0022-3719/3/3/004
Adiabatic elastic constants for argon. theory and Monte Carlo calculations, Physica, vol.44, issue.3, pp.437-443, 1969. ,
DOI : 10.1016/0031-8914(69)90217-1
Theory and properties of solid argon, Reports on Progress in Physics, vol.20, issue.1, p.516, 1957. ,
DOI : 10.1088/0034-4885/20/1/309
A Comparison of Barostats for the Mechanical Characterization of Metal???Organic Frameworks, Journal of Chemical Theory and Computation, vol.11, issue.12, pp.115583-5597, 2015. ,
DOI : 10.1021/acs.jctc.5b00748
Atomistic Monte Carlo simulation of strictly monodisperse long polyethylene melts through a generalized chain bridging algorithm, The Journal of Chemical Physics, vol.117, issue.11, pp.5465-5479, 2002. ,
DOI : 10.1016/0009-2614(75)85513-8
-Alkanes, The Journal of Physical Chemistry B, vol.102, issue.14, pp.2569-2577, 1998. ,
DOI : 10.1021/jp972543+
Molecular dynamics calculation of the equation of state of alkanes, The Journal of Chemical Physics, vol.86, issue.6, pp.4290-4295, 1990. ,
DOI : 10.1063/1.452434
Physical properties of polymers handbook, 2007. ,
DOI : 10.1007/978-0-387-69002-5
X-ray diffraction study of disorder in Allied Spectra-1000 polyethylene fibers, Macromolecules, vol.23, issue.21, pp.4608-4610, 1990. ,
DOI : 10.1021/ma00223a018
Mechanical properties and elastic constants of atomistic systems through the stress-fluctuation formalism, Computer Physics Communications, vol.184, issue.1, pp.27-33, 2013. ,
DOI : 10.1016/j.cpc.2012.08.004
The pressure???volume???temperature properties of three well-characterized low-density polyethylenes, Journal of Applied Polymer Science, vol.23, issue.4, pp.1051-1056, 1979. ,
DOI : 10.1002/app.1979.070230410
Mechanical properties of oriented low-density polyethylene with an oriented lamellar-stack morphology, Journal of Polymer Science Part B: Polymer Physics, vol.7, issue.5, pp.755-764, 2000. ,
DOI : 10.1016/S1089-3156(97)00023-8
Molecular Dynamics Modeling of the Effect of Axial and Transverse Compression on the Residual Tensile Properties of Ballistic Fiber, Fibers, vol.40, issue.1, p.7, 2017. ,
DOI : 10.1177/0040517516681961
Nonbonded Potential Parameters Derived from Crystalline Hydrocarbons, The Journal of Chemical Physics, vol.6, issue.11, pp.474680-4684, 1967. ,
DOI : 10.1007/BF00744851
A reactive potential for hydrocarbons with intermolecular interactions, The Journal of Chemical Physics, vol.11, issue.14, pp.6472-6486, 2000. ,
DOI : 10.1002/jcc.540120209
Chain ends and the ultimate strength of polyethylene fibers, ACS Macro Letters, vol.5, issue.3, pp.263-267, 2016. ,
Determination of elastic shear constants of polyethylene at room temperature by inelastic neutron scattering, Journal of Polymer Science: Polymer Physics Edition, vol.22, issue.8, pp.1515-1527, 1984. ,
DOI : 10.1002/pol.1984.180220814
Micromechanical modeling of large plastic deformation and texture evolution in semi-crystalline polymers, Journal of the Mechanics and Physics of Solids, vol.41, issue.10, pp.411651-1687, 1993. ,
DOI : 10.1016/0022-5096(93)90018-B
Simulation of large strain plastic deformation and texture evolution in high density polyethylene, Polymer, vol.34, issue.17, pp.343555-3575, 1993. ,
DOI : 10.1016/0032-3861(93)90039-D
Variable Connectivity Method for the Atomistic Monte Carlo Simulation of Polydisperse Polymer Melts, Macromolecules, vol.28, issue.21, pp.7224-7234, 1995. ,
DOI : 10.1021/ma00125a027
Mechanical Heterogeneities in Model Polymer Glasses at Small Length Scales, Physical Review Letters, vol.67, issue.17, p.93175501, 2004. ,
DOI : 10.1021/nl034458l