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Related papers: Elastic Tensor of YNi_2B_2C

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Fourth-rank tensors of complete Voigt's symmetry, that embody the elastic properties of crystalline anisotropic substances, were constructed for all 2D crystal systems. Using them we obtained explicit expressions for inverse of Young's…

Materials Science · Physics 2007-05-23 Cz. Jasiukiewicz , T. Paszkiewicz , S. Wolski

Composite of two kinds of grains is modeled in two-dimension and the elasticity is calculated using molecular dynamics method implementing Gear predictor-corrector of fifth order. It has been observed that same composite concentration can…

Soft Condensed Matter · Physics 2014-02-10 Sparisoma Viridi , Widayani , Siti Nurul Khotimah

Mechanical and elastic properties of materials are among the most fundamental quantities for many engineering and industrial applications. Here, we present a formulation that is efficient and accurate for calculating the elastic and bending…

Materials Science · Physics 2026-03-23 Changpeng Lin , Samuel Poncé , Francesco Macheda , Francesco Mauri , Nicola Marzari

We introduce a new transfer matrix method for calculating the thermodynamic properties of random-tiling models of quasicrystals in any number of dimensions, and describe how it may be used to calculate the phason elastic properties of these…

Condensed Matter · Physics 2016-08-31 M. E. J. Newman , C. L. Henley

We study the elastic properties of incommensurate solid 4He in the limit of zero temperature. Specifically, we calculate the pressure dependence of the five elastic constants (C11, C12, C13, C33, and C44), longitudinal and transversal…

Other Condensed Matter · Physics 2013-02-06 Claudio Cazorla , Yaroslav Lutsyshyn , Jordi Boronat

Employing the first-principles computations based on the density functional theory (DFT), we have investigated the structural, mechanical, electronic, bonding, optical and thermodynamics properties of newly discovered bulk superconductors…

Materials Science · Physics 2018-02-01 Md. Atikur Rahman , Md. Zahidur Rahaman , Md. Lokman Ali , Md. Shahjahan Ali

Elastic constants c11, c12 and c44 of degenerately doped silicon are studied experimentally as a function of the doping level and temperature. First and second order temperature coefficients of the elastic constants are extracted from…

Materials Science · Physics 2014-07-09 Antti Jaakkola , Mika Prunnila , Tuomas Pensala , James Dekker , Panu Pekko

We have performed accurate ab initio total energy calculations using the full-potential linearized augmented plane wave (FP-LAPW) method with the generalized gradient approximation (GGA) for the exchange-correlation potential to…

Materials Science · Physics 2009-11-13 I. R. Shein , A. L. Ivanovskii

The elastic properties of eta-Fe2C (eta carbide) have been determined from ab initio density functional theory (DFT) calculations using the generalized gradient approximation (GGA). The isotropic polycrystalline elastic modulus of eta-Fe2C…

Materials Science · Physics 2014-01-31 Adrian Oila , Chi Lung , Steve Bull

We have measured temperature and magnetic field dependencies of the sound velocities and the sound attenuation in HoNi2B2C single crystals. The main result is a huge softening the velocity of C66 mode due to a cooperative Jahn-Teller…

Superconductivity · Physics 2009-11-10 V. D. Fil , A. Knigavko , A. N. Zholobenko , E. -M. Choi , S. -I. Lee

In this work, we present the results of precise measurements of the resistivity of YNi$_2$B$_2$C single crystals with $T_{\rm c}$ = 15.5 K as a function of the temperature, and analyze the experimental data in the framework of the…

Superconductivity · Physics 2009-10-31 R. S. Gonnelli , V. A. Stepanov , A. Morello , G. A. Ummarino , G. Behr , G. Graw , S. V. Shulga , S. -L. Drechsler

We use molecular dynamics to study the vibrations of a thermally fluctuating two-dimensional elastic membrane clamped at both ends. We directly extract the eigenmodes from resonant peaks in the frequency domain of the time-dependent height…

Soft Condensed Matter · Physics 2017-07-19 Duanduan Wan , David R. Nelson , Mark J. Bowick

We have performed a first principles study of structural, mechanical, electronic, and optical properties of orthorhombic Sb2S3 and Sb2Se3 compounds. The calculations have been carried out within the local density approximation using norm…

Materials Science · Physics 2015-06-04 H. Koc , Amirullah M. Mamedov , E. Deligoz

The elastic properties of $Cu-Al-Mn$ alloys with compositions along the $Cu_3Al \to Cu_2AlMn$ line and $bcc$-based structures, are studied by means of first-principles calculations. From the calculated elastic constants, the Zener's…

Materials Science · Physics 2020-08-26 Alejandro Alés , Fernando Lanzini

We describe a theoretical and computational approach to calculate the vibrational, elastic, and thermal properties of materials from the low-temperature quantum regime to the high-temperature anharmonic regime. This approach is based on…

Materials Science · Physics 2024-09-20 Dylan A. Folkner , Zekun Chen , Giuseppe Barbalinardo , Florian Knoop , Davide Donadio

This paper presents the calculation of elastic properties of three-dimensional Yukawa or dust crystals using molecular dynamics (MD) simulations. The elastic properties are computed by deforming (compressing/expanding) the dust crystals…

Plasma Physics · Physics 2025-04-09 Sandeep Kumar

First-principles electronic-structure computes the lattice and elastic constants of single-crystal TiB and NbB and changes with Nb, Ti, Al, and V solutes. The data is built into an interpolation formula for lattice and elastic constants of…

Materials Science · Physics 2010-07-16 D. R. Trinkle

Advancements in modern semiconductor devices increasingly depend on the utilization of amorphous materials and the reduction of material thickness, pushing the boundaries of their physical capabilities. The mechanical properties of these…

Applied Physics · Physics 2024-05-31 C. Pashartis , M. J. van Setten , M. Houssa , G. Pourtois

Execution of Resonant Ultrasound Spectroscopy (RUS) for accurate measurement of elastic constants lies primarily on a perfect matching in the calculated and measured mode frequencies of free vibration. Calculation of these frequencies…

Materials Science · Physics 2019-02-27 Barnana Pal

Brillouin light scattering spectroscopy was used to probe the room-temperature elasticity of crystalline high-$T_c$ superconductor Bi$_2$Sr$_2$CaCu$_2$O$_{8+\delta}$. A complete set of best-estimate elastic constants was obtained using…

Materials Science · Physics 2022-09-26 B. D. E. McNiven , J. P. F. LeBlanc , G. T. Andrews