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QUANTAS: a Python software for the analysis of thermodynamics and elastic behavior of solids from ab initio quantum mechanical simulations and experimental data

Journal of applied crystallography, 2022-04, Vol.55 (2), p.386-396

2022

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Structural, electronic and elastic properties of FeCrAs Half-metallic ferromagnetic Half-Heusler Alloy: A First-Principles study

Materials today : proceedings, 2022, Vol.67, p.12-19

2022

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ElaStic: A tool for calculating second-order elastic constants from first principles

Computer physics communications, 2013-08, Vol.184 (8), p.1861-1873

2013

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VELAS: An open-source toolbox for visualization and analysis of elastic anisotropy

Computer physics communications, 2023-02, Vol.283, p.108540, Article 108540

2023

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Impact of hydrogen cage occupancy on the mechanical properties and elastic anisotropies of sII hydrates

Fluid phase equilibria, 2024-10, Vol.585, p.114172, Article 114172

2024

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First-principles calculations to investigate third-order elastic constant, anharmonicity and temperature dependent second elastic constant of thermoelectric materials Cu3MSe4(M = V and Nb)

Chemical physics letters, 2023-02, Vol.812, p.140254, Article 140254

2023

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Pressure Dependent Elastic, Mechanical and Ultrasonic Properties of ZnO Nanotube

Indian journal of pure & applied physics, 2023-01

2023

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Extreme elastic deformable ceramics on the nanoscale: CrxByOz nanowire as an example

Nano express, 2021-12, Vol.2 (4)

2021

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Structural properties of BeO at high pressure

Bulletin of materials science, 2014-10, Vol.37 (6), p.1339-1342

2014

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Pressure Induced Phase Transition and Elastic Properties of Alkaline Earth Mono-Sulphide

Advanced materials research, 2014, Vol.1047, p.19-25

2014

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Third-order elastic moduli for alkali-halide crystals possessing the sodium chloride structure

Physica. B, Condensed matter, 2010-08, Vol.405 (15), p.3063-3068

Ray, U.

2010

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Numerical determination of the symmetry classes of elastic crystalline bodies

Physica. B, Condensed matter, 2002-05, Vol.316, p.182-185

2002

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Investigation of Elastic Properties of Rutile Titanium Dioxide from First Principles

Processing and Characterization of Materials, 2021, Vol.13, p.203-210

2021

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Third-Order Fuchs Elastic Constants and the Pressure Derivatives of the Second-Order Elastic Constants for Compressed Ne and Ar in the Model of Deformable Atoms

Advanced Materials, p.225-237

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Nonlinear Acoustic Wedge Waves

Generalized Models and Non-classical Approaches in Complex Materials 2, p.161-184

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Second order elastic constants and some thermoelastic properties of alkali halides using Woodcock potential

Turkish journal of physics, 2001, Vol.25 (4), p.345-353

2001

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Four constant potential function of amorphous selenium and evaluation of its thermodynamic and acoustic properties

Pramāṇa, 1997-09, Vol.49 (3), p.269-283

1997

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Lower and Upper Bound Estimates of Material Properties of Pristine Graphene: Using Quantum Espresso

Advances in Structural Integrity, p.253-265

Volltextzugriff (PDF)

Higher order elastic constants of rare earth metals: gadolinium, dysprosium and erbium

Bulletin of materials science, 1980-08, Vol.2 (3), p.217-219

Menon, C S

1980

Volltextzugriff (PDF)

Unified study of alkaline earth metal

Pramāṇa, 1987-06, Vol.28 (6), p.689-697

1987

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Third-Order Elastic Constants of Tin and of a Tin-Indium Alloy

Physical review. B, Solid state, 1972-01, Vol.6 (2), p.426-435

1972

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Determination of second- and third-order elastic constants for energetic materials

Computational materials science, 2019-04, Vol.161, p.379-384

2019

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Elastic properties of solids at high pressure

Physics Uspekhi, 2015-01, Vol.58 (11), p.1106-1114

2015

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Influence of a Static Reversible Loading on Mechanical and Elastic Properties of Polycrystalline Aluminum Alloy AMg6

Acoustical physics, 2018-07, Vol.64 (4), p.415-421

2018

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Ab-initio calculation of elastic constants of crystalline systems with the CRYSTAL code

Computer physics communications, 2009-10, Vol.180 (10), p.1753-1759

2009

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QUANTAS: a Python software for the analysis of thermodynamics and elastic behavior of solids from ab initio quantum mechanical simulations and experimental data

Structural, electronic and elastic properties of FeCrAs Half-metallic ferromagnetic Half-Heusler Alloy: A First-Principles study

ElaStic: A tool for calculating second-order elastic constants from first principles

VELAS: An open-source toolbox for visualization and analysis of elastic anisotropy

Impact of hydrogen cage occupancy on the mechanical properties and elastic anisotropies of sII hydrates

First-principles calculations to investigate third-order elastic constant, anharmonicity and temperature dependent second elastic constant of thermoelectric materials Cu3MSe4(M = V and Nb)

Pressure Dependent Elastic, Mechanical and Ultrasonic Properties of ZnO Nanotube

Extreme elastic deformable ceramics on the nanoscale: CrxByOz nanowire as an example

Structural properties of BeO at high pressure

Pressure Induced Phase Transition and Elastic Properties of Alkaline Earth Mono-Sulphide

Third-order elastic moduli for alkali-halide crystals possessing the sodium chloride structure

Numerical determination of the symmetry classes of elastic crystalline bodies

Investigation of Elastic Properties of Rutile Titanium Dioxide from First Principles

Third-Order Fuchs Elastic Constants and the Pressure Derivatives of the Second-Order Elastic Constants for Compressed Ne and Ar in the Model of Deformable Atoms

Nonlinear Acoustic Wedge Waves

Second order elastic constants and some thermoelastic properties of alkali halides using Woodcock potential

Four constant potential function of amorphous selenium and evaluation of its thermodynamic and acoustic properties

Lower and Upper Bound Estimates of Material Properties of Pristine Graphene: Using Quantum Espresso

Higher order elastic constants of rare earth metals: gadolinium, dysprosium and erbium

Unified study of alkaline earth metal

Third-Order Elastic Constants of Tin and of a Tin-Indium Alloy

Determination of second- and third-order elastic constants for energetic materials

Elastic properties of solids at high pressure

Influence of a Static Reversible Loading on Mechanical and Elastic Properties of Polycrystalline Aluminum Alloy AMg6

Ab-initio calculation of elastic constants of crystalline systems with the CRYSTAL code

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