Lattice wave theory of molecular dynamics

Tang, Qiheng; 王自强,

doi:10.1360/132010-498

Cited by 5 publications

(5 citation statements)

References 2 publications

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“…where T 0 is the reference temperature and is chosen to be room temperature in the present work,  T is the thermal strain from temperature T 0 to temperature T, and  is the coefficient of thermal expansion. The coefficient of thermal expansion  can be obtained from the experimental results [39], and can also be calculated by the theoretical method [28,29]. For the metal crystal Al, the thermal strain tensor E * is as follows:…”

Section: Thermal Strainmentioning

confidence: 99%

“…On the other hand, in addition to the widely recognized theories mentioned above, some new temperature-dependent elasto-plastic constitutive models which combine microand macro-scales have been proposed for some complex and difficult problems [28][29][30][31][32][33]. For example, the crystal plasticity finite-element (CPFE) models have been used to investigate the effect of the dislocation creep [34], hardening behavior [35], and crystal orientation [36] on the plastic behavior of metal at different temperatures.…”

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confidence: 99%

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A new thermo-elasto-plasticity constitutive equation for crystals

Chen

Tang

Wang

2015

Sci. China Phys. Mech. Astron.

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Based on the crystal plasticity theory and interatomic potential, in this paper a new thermo-elasto-plasticity constitutive model is proposed to study the behavior of metal crystals at finite temperature. By applying the present constitutive model, the stress-strain curves under uniaxial tension at different temperatures are calculated for the typical crystal Al, and the calculated results are compared with the experimental results. From the comparisons, it can be seen that the present theory has the capability to describe the thermo-elasto-plastic behavior of metal crystals at finite temperature through a concise and explicit calculation process. thermo-elasto-plasticity theory, constitutive equation, interatomic potential, critical resolved shear stress, hardening

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Section: Thermal Strainmentioning

confidence: 99%

mentioning

confidence: 99%

A new thermo-elasto-plasticity constitutive equation for crystals

Chen

Tang

Wang

2015

Sci. China Phys. Mech. Astron.

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“…The concept of the thermal strain is introduced and the new thermal stress theory is proposed in this section. The characteristic of new theory is to use the thermal strain instead of frequency of the lattice wave, which made it convenient in practical application [22,23].…”

Section: A Continuum Thermal Stress Theory For Cubic Crystalsmentioning

confidence: 99%

“…(17) instead. Compared to the previous thermal stress theory [22], eq. (17) is much more convenient and effective in practical application.…”

Section: Stress-strain Relationshipmentioning

confidence: 99%

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A continuum thermal stress theory for crystals based on interatomic potentials

Tang

Wang

2014

Sci. China Phys. Mech. Astron.

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This paper presents a new continuum thermal stress theory for crystals based on interatomic potentials. The effect of finite temperature is taken into account via a harmonic model. An EAM potential for copper is adopted in this paper and verified by computing the effect of the temperature on the specific heat, coefficient of thermal expansion and lattice constant. Then we calculate the elastic constants of copper at finite temperature. The calculation results are in good agreement with experimental data. The thermal stress theory is applied to an anisotropic crystal graphite, in which the Brenner potential is employed. Temperature dependence of the thermodynamic properties, lattice constants and thermal strains for graphite is calculated. The calculation results are also in good agreement with experimental data. Citation:Liu X L, Tang Q H, Wang T C. A continuum thermal stress theory for crystals based on interatomic potentials.

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