An improved lattice mechanical model for FCC transition metals

Pandya, C. V.; Vyas, P. R.; Pandya, T. C.; Rani, Nisha; Gohel, V. B.

doi:10.1016/s0921-4526(01)00634-2

Cited by 43 publications

(34 citation statements)

References 41 publications

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“…In addition, MD simulations can be another approach to calculate the mechanical properties at the high temperature and pressures. The theoretical pressure-volume relations for monoatomic metals have been studied with different methods [5,20,21]. The calculated pressure versus fractional volume of Cu, Ag and Au are shown in Fig.…”

Section: Resultsmentioning

confidence: 99%

The effect of pressure on the elastic constants of Cu, Ag and Au: a molecular dynamics study

et al. 2006

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This paper describes the effect of pressure on some the mechanical properties of transition metals Cu, Ag, and Au, such as elastic constants and bulk modulus. Using molecular dynamics (MD) simulation, the present study was carried out using the modified many-body Morse potential function expression in the framework of the Embedded Atom Method (EAM). The effect of pressure on equilibrium volume, elastic constants, and bulk modulus were determined, and found to be in agreement with other theoretical calculations and experimental data.

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Section: Resultsmentioning

confidence: 99%

The effect of pressure on the elastic constants of Cu, Ag and Au: a molecular dynamics study

et al. 2006

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“…In the present calculations based on the CBR model, the results of elastic constants for five fccmetals, Au, Pt, Pd, Cu and Al, are presented in Table 2. Other scholars' theoretical and experimental results [29][30][31][32] are also given in Table 2 for comparison. The theoretical results by others [29,30] are based on an improved lattice mechanical model and embedded-atom-method, respectively.…”

Section: Determination Of Elastic Constantsmentioning

confidence: 99%

“…Other scholars' theoretical and experimental results [29][30][31][32] are also given in Table 2 for comparison. The theoretical results by others [29,30] are based on an improved lattice mechanical model and embedded-atom-method, respectively. It can be seen from Table 2 that the present results agree well with those of others, especially with the theoretical results [30] and the experimental results [31] .…”

Section: Determination Of Elastic Constantsmentioning

confidence: 99%

“…In the present research, we use the CBR model to investigate the size effects of elastic [29] , 1.163 [30] 1.144 [31] , 1.260 [32] C12 1.015 0.804 [29] , 0.981 [30] 0.994 [31] , 1.060 [32] C44 0.265 0.439 [29] , 0.263 [30] 0.281 [31] , 0.284 [32] Pt C11 2.216 2.006 [29] , 2.169 [30] 1.894 [31] , 2.169 [32] C12 1.671 1.525 [29] , 1.569 [30] 1.706 [31] , 1.569 [32] C44 0.457 0.694 [29] , 0.478 [30] 0.425 [31] , 0.478 [32] Pd C11 1.380 1.513 [29] , 1.463 [30] 1.363 [31] , 1.446 [32] C12 1.099 1.088 [29] , 1.100 [30] 1.150 [31] , 1.100 [32] C44 0.432 0.541 [29] , 0.445 [30] 0.406 [31] , 0.445 [32] Cu C11 1.049 0.851 [29] , 1.063 [30] 1.044 [31] , 1.101 [32] C12 0.763 0.749 [29] , 0.766 [30] 0.775 [31] , 0.781 [32] C44 0.468 0.468 [29] , 0.474 [3...…”

Section: Size Effects Of Elastic Modulusmentioning

confidence: 99%

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Size effects of elastic modulus of fcc metals based on the Cauchy-Born rule and nanoplate models

Liu

Song

Wei

2014

Acta Mechanica Solida Sinica

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In the present research, a simple quasi-continuum model, the Cauchy-Born rule model, is used to investigate the size effects of elastic modulus for fcc metals. By considering a nanoplate model and calculating the strain energy for the nano-sized plate under tension and bending, the relationship between the elastic modulus and the plate thickness is found. Size effects of the elastic modulus are displayed by the relative differences of the elastic modulus between the nano-sized plate sample and the bulk sample. By comparing the present results with those of others, the effectiveness of the Cauchy-Born rule model in studying the size effects of material properties are shown.

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“…Theoretically, the pair-potential theory [9][10][11], the embeddedatom method (EAM) [12,13], the EAM combined with the molecular-dynamics (MD) simulation [14,15] and Ab initio calculation [16,17] have been used. Since the pair-potential theory considers only the potential energy between atoms in a system and does not consider the multi-body effects.…”

Section: Introductionmentioning

confidence: 99%

MAEAM investigation of the structural stability and theoretical strength of Fe crystals under uniaxial loading

Zhang¹,

Wang

2008

Cryst. Res. Technol.

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The structural stability and theoretical strength of BCC crystal Fe under uniaxial loading have been investigated with the modified analytic embedded-atom method (MAEAM). Even if an orthorhombic path is applied, the deformation is spontaneous along the tetragonal path till Milstein modified Born criterion B 22 -B 23 >0 is violated at λ 1 =0.9064 in the compressive region. The branched orthogonal path with lower compressive stress σ 1 and energy E is preferred over the conventional tetragonal Bain path. A stress-free FCC phase with the local maximum energy of -4.2186eV appearing either in compressive region (orthorhombic path) at λ 1 =0.8923 or in tensile region (tetragonal path) at λ 1 =1.2619 is unstable and would slip spontaneously into its near neighbor stress-free mBCT phase with the local minimum energy of -4.2270eV. The initial BCC phase with the lowest energy of -4.280eV is the most stable in correspondence with the actual behavior of Fe. Furthermore, the stable region ranges from -79.7eV/nm 3 to 30.6eV/nm 3 in the theoretical strength or from 0.9064 to 1.1788 in the stretch λ 1 correspondingly.

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An improved lattice mechanical model for FCC transition metals

Cited by 43 publications

References 41 publications

The effect of pressure on the elastic constants of Cu, Ag and Au: a molecular dynamics study

The effect of pressure on the elastic constants of Cu, Ag and Au: a molecular dynamics study

Size effects of elastic modulus of fcc metals based on the Cauchy-Born rule and nanoplate models

MAEAM investigation of the structural stability and theoretical strength of Fe crystals under uniaxial loading

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