Computational Materials Science

Title Publication Date Language Citations
Elastic constants of cubic crystals2014/12/01English338
Prediction of compressive strength of concrete containing fly ash using artificial neural networks and fuzzy logic2008/01/01English326
A comparative study on Johnson Cook, modified Zerilli–Armstrong and Arrhenius-type constitutive models to predict elevated temperature flow behaviour in modified 9Cr–1Mo steel2009/12/01English318
Ab initio calculations of elastic constants and thermodynamic properties of NiAl under high pressures2008/12/01English313
Computational and experimental study of interfacial bonding of single-walled nanotube reinforced composites2004/11/01English298
Density-functional tight-binding for beginners2009/11/01English297
The Materials Application Programming Interface (API): A simple, flexible and efficient API for materials data based on REpresentational State Transfer (REST) principles2015/02/01English295
HOOMD-blue: A Python package for high-performance molecular dynamics and hard particle Monte Carlo simulations2020/02/01English281
Prediction of welding distortion and residual stress in a thin plate butt-welded joint2008/08/01English275
How to determine composite material properties using numerical homogenization2014/02/01English268
Nonlinear vibration of nanotube-reinforced composite plates in thermal environments2011/06/01English267
Graphene-like titanium carbides and nitrides Tin+1Cn, Tin+1Nn (n=1, 2, and 3) from de-intercalated MAX phases: First-principles probing of their structural, electronic properties and relative stability2012/12/01English267
First-principles calculations of pure elements: Equations of state and elastic stiffness constants2010/06/01English251
Elastic, electronic and optical properties of ZnS, ZnSe and ZnTe under pressure2006/11/01English249
Determination of elastic constants of titanium diboride (TiB2) from first principles using FLAPW implementation of the density functional theory2006/02/01English248
Wide range data for crack tip parameters in two disc-type specimens under mixed mode loading2007/02/01English241
Experimental characterization and analytical modelling of the mechanical behaviour of fused deposition processed parts made of ABS-M302013/11/01English241
A theoretical analysis of FGM thin plates based on physical neutral surface2008/12/01English240
Adsorption of formaldehyde molecule on the intrinsic and Al-doped graphene: A first principle study2009/10/01English231
Small scale effect on the buckling of single-layered graphene sheets under biaxial compression via nonlocal continuum mechanics2009/11/01English227
Study of cohesion and adhesion properties of asphalt concrete with molecular dynamics simulation2016/02/01English225
The AFLOW standard for high-throughput materials science calculations2015/10/01English225
Constitutive descriptions for hot compressed 2124-T851 aluminum alloy over a wide range of temperature and strain rate2010/11/01English224
Thermo-mechanical vibration of a single-walled carbon nanotube embedded in an elastic medium based on nonlocal elasticity theory2009/10/01English223
Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows2017/11/01English223
Application of neural networks to predict the elevated temperature flow behavior of a low alloy steel2008/10/01English223
On degradation functions in phase field fracture models2015/10/01English222
Multi-fidelity machine learning models for accurate bandgap predictions of solids2017/03/01English221
Simulation of metal additive manufacturing microstructures using kinetic Monte Carlo2017/07/01English219
A physically-based constitutive model for a typical nickel-based superalloy2014/02/01English219