Elastic Stiffness Coefficients of Single-Crystal Iron from Room Temperature to 500°C

Leese, J. G.; Lord, Arthur E.

doi:10.1063/1.1656884

Cited by 88 publications

(30 citation statements)

References 9 publications

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“…It is shown that thermal properties are also correctly reproduced. The calculated temperature dependence of bulk modulus shows a good agreement with experimental data, [22][23][24][25][26] as illustrated in Fig. 1.…”

Section: Interatomic Potentialsupporting

confidence: 71%

“…Fig. 1 Calculated bulk modulus of (a) pure Al and (b) pure Fe according to the 2NN MEAM interatomic potentials, [5,6] in comparison with experimental data [22][23][24][25][26] Table 2 Physical properties of various structures in the Ni-W system calculated based on the MEAM potential, [15] in comparison with experimental data or FP calculation [27] a, Å c, Å E c , eV Basic and Applied Research: Section I Fig. 2 Superstructure composed of bcc and fcc Fe used for computation of (a) the K-S interfacial energy and (b) an average value of random interfaces Fig.…”

Section: Computation Of Stacking Fault Energymentioning

confidence: 99%

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A Semi-Empirical Atomistic Approach in Materials Research

Lee

2009

J. Phase Equilib. Diffus.

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With developments of semi-empirical interatomic potentials for realistic materials systems, atomistic approaches to a wide range of bulk and nanostructured materials become more and more feasible. This article outlines a recently developed semi-empirical interatomic potential model, the second nearest-neighbor modified embedded-atom method that shows a strong applicability to multicomponent systems. It is shown that the interatomic potentials can well reproduce fundamental physical properties of representative materials systems. Examples are used to illustrate the applications of the atomistic approach to calculation of fundamental physical properties of both nano and bulk structural materials such as thermodynamic, elastic, interface, and defect properties necessary to understand the materials behavior and to serve as input to larger-scale simulations.

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Section: Interatomic Potentialsupporting

confidence: 71%

Section: Computation Of Stacking Fault Energymentioning

confidence: 99%

A Semi-Empirical Atomistic Approach in Materials Research

Lee

2009

J. Phase Equilib. Diffus.

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“…Comparison of the elastic constants of seven pure metals obtained from polycrystalline samples of this study with those obtained from single crystals reported in the literature [29][30][31][32][33][34][35] (All values in GPa and Δ = Difference) Sample C enough for measurements. The TDTR signal is quite strong and the measurements comprised 33 grain-PDMS film orientation combinations.…”

Section: Resultsmentioning

confidence: 99%

“…More accurate C 11 and C 12 were obtained through decreasing step size and increasing the number of the initial values. The measured C ij values from all five cubic polycrystalline pure metals are summarized in Table 2 in comparison with results from single crystal measurements, [28][29][30][31][32] showing that the maximum difference is only 5.3% among all the 15 measured C ij values with the standard deviation of difference between the polycrystalline (this study) and single-crystal (the literature) measurements for C 11 , C 12 , and C 44 being 2.2, 3.2, 3.5%, respectively. The excellent agreement is graphically shown in Fig.…”

Section: Resultsmentioning

confidence: 99%

Facile measurement of single-crystal elastic constants from polycrystalline samples

Zhao

2017

npj Comput Mater

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Elastic constants are among the most fundamental properties of materials. Simulations of microstructural evolution and constitutive/micro-mechanistic modeling of materials properties require elastic constants that are predominately measured from single crystals that are labor intensive to grow. A facile technique is developed to measure elastic constants from polycrystalline samples. The technique is based upon measurements of the surface acoustic wave velocities with the help of a polydimethylsiloxane film grating that is placed on a polished surface of a polycrystalline sample to confine surface acoustic waves that are induced by a femtosecond laser and measured using pump-probe time-domain thermoreflectance. Electron backscatter diffraction is employed to measure the crystallographic orientation along which the surface acoustic wave propagates in each grain (perpendicular to the polydimethylsiloxane grating). Such measurements are performed on several grains. A robust mathematical solution was developed to compute the surface acoustic wave velocity along any crystallographic orientation of any crystal structure with given elastic constants and density. By inputting various starting values of elastic constants to compute the surface acoustic wave velocities to match experimental measurements in several distinct crystallographic orientations using an optimization algorithm, accurate elastic constant values have been obtained from seven polycrystalline metal samples to be within 6.8% of single-crystal measurements. This new technique can help change the current scenario that experimentally measured elastic constants are available for only about 1% of the estimated 160,000 distinct solid compounds, not to mention the significant need for elastic constants of various solid solution compositions that are the base of structural materials.

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“…High temperature elastic constants of a-Fe has already been examined from 1931 to 1971 by several researchers. [5][6][7][8][9][10] These studies report C ij (T) in different temperature ranges while the results show inconsistency in the overlapped temperature intervals. Thus re-investigation should be worth while.…”

Section: Introductionmentioning

confidence: 99%

High Temperature Elastic Constants of α-Fe Single Crystal Studied by Electromagnetic Acoustic Resonance

2009

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Complete set of elastic constants C ij of a-Fe single crystal have been investigated from ambient temperature up to 893 K by electromagnetic acoustic resonance. Longitudinal component of elastic constants C 11 showed linear temperature behavior and the magnitude of elastic softening was approximately 13 %. The remainning two shear moduli, C 44 and CЈ, however showed highly nonlinear behaviors with significant softenings of 50 %. On a Blackman diagram, elastic constant ratios at high temperatures move to a limit, C 12 /C 11 ϭ1 and C 44 /C 11 ϭ0, where Born's two lattice instability criteria have been satisfied simultaneously. Violation of Cauchy relation is also significant upon heating.

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Elastic Stiffness Coefficients of Single-Crystal Iron from Room Temperature to 500°C

Cited by 88 publications

References 9 publications

A Semi-Empirical Atomistic Approach in Materials Research

A Semi-Empirical Atomistic Approach in Materials Research

Facile measurement of single-crystal elastic constants from polycrystalline samples

High Temperature Elastic Constants of α-Fe Single Crystal Studied by Electromagnetic Acoustic Resonance

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