Slip of Zinc and Cadmium Whiskers

Coleman, R. V.; Price, Bryan C.; Cabrera, Natalia González

doi:10.1063/1.1722654

Cited by 6 publications

(11 citation statements)

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“…It is followed by a slower decrease. For small 3 (Ͻ0.05), the numerical errors are bigger than for larger values of 3 .…”

Section: Resultsmentioning

confidence: 92%

“…The internal parameter ⌬ ͓Fig. 2͑b͔͒ increases with increasing 3 , except very close to the ground state where it is almost constant. It reaches its maximum of about 0.030 for 3 Ϸ0.35, which is a relatively high value when compared with the ground state.…”

Section: Resultsmentioning

confidence: 96%

“…Figure 3 shows the behavior of Poisson ratio ͉ 1 / 3 ͉. It oscillates around the value of about 0.16 before reaching the first inflexion point at the dependence of the total energy vs 3 . Then, a strong increase in the region corresponding to the rapid change of the lattice parameter a ͓equal to the length of the Si-Si Ќ bonds, Fig.…”

Section: Resultsmentioning

confidence: 97%

“…1. 68,69 Then, in the second step, we apply an elongation along the loading axis ͑in the ͓001͔ direction in the present case͒ by a fixed amount 3 that is equivalent to application of a certain tensile stress 3 . The C11 b structure is bodycentered tetragonal and keeps its tetragonal symmetry during uniaxial loading along the ͓001͔ axis; this axis is denoted as 3.…”

Section: Methodsmentioning

confidence: 99%

“…Hence, the theoretical tensile strength, corresponding to the fracture of an ideal, defect free crystal, has rarely been attained. The only materials in which it was approached in the past are whiskers of very pure metals and silicon [1][2][3][4][5] that are practically dislocation free. However, recent developments in material engineering, such as the production of defect-free thin films and the advancement of various nanostructured materials, have stimulated interest in studies of the ideal strength which in these materials may control both the onset of fracture and the dislocation nucleation, as demonstrated by nanoindentation experiments ͑see e. g., Refs.…”

Section: Introductionmentioning

confidence: 99%

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Ab initiostudy of the ideal tensile strength and mechanical stability of transition-metal disilicides

2003

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The ideal tensile test in transition metal disilicides MoSi 2 and WSi 2 with a C11 b structure is simulated by ab initio electronic structure calculations using the full-potential linearized augmented plane wave method. The theoretical tensile strength for [001] loading is determined for both disilicides and compared with that of other materials. A full relaxation of all external and one internal structural parameter is performed, and the influence of each relaxation process on energetics and strength of materials studied is investigated. Differences in the behavior of various interatomic bonds including tension-compression asymmetry are analyzed and their origin in connection with the changes of the internal structural parameter is traced. For comparison, the response of bonds in MoSi and CoSi with B2 structure to the [001] loading is also studied. The ideal tensile test in transition metal disilicides MoSi 2 and WSi 2 with a C11 b structure is simulated by ab initio electronic structure calculations using the full-potential linearized augmented plane wave method. The theoretical tensile strength for ͓001͔ loading is determined for both disilicides and compared with that of other materials. A full relaxation of all external and one internal structural parameter is performed, and the influence of each relaxation process on energetics and strength of materials studied is investigated. Differences in the behavior of various interatomic bonds including tension-compression asymmetry are analyzed and their origin in connection with the changes of the internal structural parameter is traced. For comparison, the response of bonds in MoSi and CoSi with B2 structure to the ͓001͔ loading is also studied.

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“…It is followed by a slower decrease. For small 3 (Ͻ0.05), the numerical errors are bigger than for larger values of 3 .…”

Section: Resultsmentioning

confidence: 92%

Section: Resultsmentioning

confidence: 96%

Section: Resultsmentioning

confidence: 97%

Section: Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Ab initiostudy of the ideal tensile strength and mechanical stability of transition-metal disilicides

2003

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Determining the Elasticity of Materials Employing Quantum‐mechanical Approaches: From the Electronic Ground State to the Limits of Materials Stability

Friák

Hickel

Körmann

et al. 2011

steel research int.

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Quantum-mechanical (so-called ab initio) calculations have achieved considerable reliability in predicting physical and chemical properties and phenomena. Due to their reliability they are becoming increasingly useful when designing new alloys or revealing the origin of phenomena in existing materials, also because these calculations are able to accurately predict basic material properties without experimental input. Due to the universal validity of fundamental quantum mechanics, not only ground-state properties, but also materials responses to external parameters can reliably be determined. The focus of the present paper is on ab initio approaches to the elasticity of materials. First, the methodology to determine single-crystalline elastic constants and polycrystalline moduli of ordered compounds as well as disordered alloys is introduced. In a second part, the methodology is applied on a-Fe, with a main focus on (i) investigating the influence of magnetism on its elasticity and phase stability and (ii) simulating extreme loading conditions that go up to the theoretical tensile strength limits and beyond.

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Critical review of concepts common to cohesive energy density, surface tension, tensile strength, heat of mixing, interfacial tension and butt joint strength

Gardon¹

1977

Progress in Organic Coatings

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Slip of Zinc and Cadmium Whiskers

Cited by 6 publications

References 0 publications

Ab initiostudy of the ideal tensile strength and mechanical stability of transition-metal disilicides

Ab initiostudy of the ideal tensile strength and mechanical stability of transition-metal disilicides

Determining the Elasticity of Materials Employing Quantum‐mechanical Approaches: From the Electronic Ground State to the Limits of Materials Stability

Critical review of concepts common to cohesive energy density, surface tension, tensile strength, heat of mixing, interfacial tension and butt joint strength

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