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Article cité :

Thermal buckling response of foam core smart sandwich nanoplates with electro-elastic and magneto-strictive layers

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Predictive modeling of critical temperatures in magnesium compounds using transfer learning

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First-principles calculations to investigate the elastic, electronic, dynamical, and optical properties of cubic ZrCoAs half-Heusler semiconductor for photovoltaic applications

Lynet Allan, R.E. Mapasha, Winfred M. Mulwa, Julius M. Mwabora and Robinson J. Musembi
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https://doi.org/10.1016/j.rinma.2024.100558

Discrete heat equation for a periodic layered system with allowance for the interfacial thermal resistance: General formulation and dispersion analysis

S. L. Sobolev
Physical Review E 109 (5) (2024)
https://doi.org/10.1103/PhysRevE.109.054102

Evaluation of the phonon, optoelectronic, photovoltaic, thermoelectric, photocatalytic and thermodynamic properties of the inorganic perovskite CsPbI2Br using Ab initio calculations

M. Kmichou, R. Masrour, L. Xu, E.K. Hlil and A. Rezzouk
Solar Energy 279 112812 (2024)
https://doi.org/10.1016/j.solener.2024.112812

Oxygen Potential, Uranium Diffusion, and Defect Chemistry in UO2±x: A Density Functional Theory Study

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The Journal of Physical Chemistry C 128 (50) 21559 (2024)
https://doi.org/10.1021/acs.jpcc.4c06580

Elastic wave propagation and vibration characteristics of diamond-shaped metastructures

Yingli Li, Ahmed Opeyemi Jamiu and Muhammad Zahradeen Tijjani
Archive of Applied Mechanics 93 (10) 3921 (2023)
https://doi.org/10.1007/s00419-023-02468-3

A first-principles prediction on the structural, electronic, elastic, phonon, and transport properties of BaSiN2

Yasemin O. Ciftci and Irem O. Alp
Indian Journal of Physics 96 (14) 4131 (2022)
https://doi.org/10.1007/s12648-022-02347-7

Study of lattice dynamics and mechanical properties of Pd and Pt using pseudopotential formulism

K G Bhatia and P N Gajjar
Physica Scripta 97 (10) 105701 (2022)
https://doi.org/10.1088/1402-4896/ac8c04

Computational study of structural, electronic and optical properties of HgIn amalgam

M.V. Vaghela, Dhara Raval, Bindiya Babariya and P.N. Gajjar
Physica B: Condensed Matter 639 413882 (2022)
https://doi.org/10.1016/j.physb.2022.413882

A Review of Available Theories and Methodologies for the Analysis of Nano Isotropic, Nano Functionally Graded, and CNT Reinforced Nanocomposite Structures

Aman Garg, H. D. Chalak, A. M. Zenkour, Mohamed-Ouejdi Belarbi and Mohammed-Sid-Ahmed Houari
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https://doi.org/10.1007/s11831-021-09652-0

Defect Characterization in a 1D Spring Mass System Using the Laplace and Z-Transforms

Neil Jerome A. Egarguin, Larry Guan and Daniel Onofrei
Journal of Vibration Engineering & Technologies 10 (3) 1121 (2022)
https://doi.org/10.1007/s42417-022-00433-y

The Structural, Mechanical, Lattice Dynamical, and Thermal Properties of 3D Dirac Semimetals BaXBi (X=Cu, Ag, Au) from First‐Principles Calculations

Bahadır Salmankurt
physica status solidi (b) 259 (10) (2022)
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A new form of pseudopotential for the study of lattice mechanical properties of transition metals

K.G. Bhatia, N.K. Bhatt, P.R. Vyas and V.B. Gohel
Philosophical Magazine 101 (13) 1602 (2021)
https://doi.org/10.1080/14786435.2021.1922776

Monolayer Mo2B: A non-magnetic metal and potential application as anode material for ion batteries and catalyst for hydrogen evolution

Z. Wang, S.W. Fan, H.G. Piao and Z.S. Lu
Applied Surface Science 538 148026 (2021)
https://doi.org/10.1016/j.apsusc.2020.148026

Phonon anharmonicity: a pertinent review of recent progress and perspective

Bin Wei, Qiyang Sun, Chen Li and Jiawang Hong
Science China Physics, Mechanics & Astronomy 64 (11) (2021)
https://doi.org/10.1007/s11433-021-1748-7

Exploring structural, electronic, and optical properties of the bismuth based palladium chalcopyrite

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Materials Today: Proceedings 47 567 (2021)
https://doi.org/10.1016/j.matpr.2020.10.656

Modeling the α - and β -resorcinol phase boundary via combination of density functional theory and density functional tight-binding

Cameron Cook, Jessica L. McKinley and Gregory J. O. Beran
The Journal of Chemical Physics 154 (13) (2021)
https://doi.org/10.1063/5.0044385

Reduced-cost supercell approach for computing accurate phonon density of states in organic crystals

Cameron Cook and Gregory J. O. Beran
The Journal of Chemical Physics 153 (22) (2020)
https://doi.org/10.1063/5.0032649

Morphological and Structural Properties of Amorphous Lactulose Studied by Scanning Electron Microscopy, Polarized Neutron Scattering, and Molecular Dynamics Simulations

Frederic Ngono, Gabriel J. Cuello, Monica Jiménez-Ruiz, et al.
Molecular Pharmaceutics 17 (1) 10 (2020)
https://doi.org/10.1021/acs.molpharmaceut.9b00767

Comparative ab initio study of the structural, electronic, dynamical, and optical properties of group-I based CuMO2 (M = H, Li, Na, K, Rb)

Deepak Upadhyay, Nikunj Joshi, Arun Pratap and Prafulla K. Jha
Journal of Applied Physics 128 (15) (2020)
https://doi.org/10.1063/5.0019961

Exploring phononic properties of two-dimensional materials using machine learning interatomic potentials

Bohayra Mortazavi, Ivan S. Novikov, Evgeny V. Podryabinkin, Stephan Roche, Timon Rabczuk, Alexander V. Shapeev and Xiaoying Zhuang
Applied Materials Today 20 100685 (2020)
https://doi.org/10.1016/j.apmt.2020.100685

Understanding the thermal properties of amorphous solids using machine-learning-based interatomic potentials

Gabriele C. Sosso, Volker L. Deringer, Stephen R. Elliott and Gábor Csányi
Molecular Simulation 44 (11) 866 (2018)
https://doi.org/10.1080/08927022.2018.1447107

Numerical study of the structural and vibrational properties of amorphous Ta2O5 and TiO2-doped Ta2O5

T. Damart, E. Coillet, A. Tanguy and D. Rodney
Journal of Applied Physics 119 (17) (2016)
https://doi.org/10.1063/1.4948665