Combined quantum-mechanical and Calphad approach to description of heat capacity of pure elements below room temperature

J Pavlů, P Řehák, J Vřešťál, M Šob - Calphad, 2015 - Elsevier
Einstein temperature (TE) was determined by fitting of experimental heat capacity data by
the Einstein function only which ensures that it will represent the harmonic vibrational Gibbs …

Phase-field modeling of eutectic Ti–Fe alloy solidification

J Kundin, R Kumar, A Schlieter, MA Choudhary… - Computational materials …, 2012 - Elsevier
The eutectic microstructure formed during the solidification of a binary titanium–iron alloy (Ti–
29.5 at.% Fe) has been simulated using the phase-field method. The model uses the …

[PDF][PDF] Role of laser powder bed fusion process parameters in crystallographic texture of additive manufactured Nbe48Ti alloy

R de Moura Nobre, WA de Morais… - journal of materials …, 2021 - researchgate.net
To reduce the stress shielding effect (adaptive remodeling in bone tissue), metallic implants
should exhibit an elastic modulus similar to that of human bones. This effect causes …

Multi‐scale modelling of a biological material: the arthropod exoskeleton

M Friák, HO Fabritius, S Nikolov, M Petrov… - 2013 - books.rsc.org
In recent years, materials science has increasingly focussed on biological structural
materials as sources of inspiration and templates for the development of novel materials with …

Computational modelling of SmCoO3-based cathode materials for solid oxide fuel cells

EIK Olsson - 2017 - discovery.ucl.ac.uk
This thesis presents the results of a computational study of bulk SmCoO3-based perovskites
for use as Intermediate Temperature Solid Oxide Fuel Cell (IT-SOFC) cathode. Using both …

First-principles study of mechanical and optical properties for ZnS1− xOx alloying compounds

J Qi, Y Yin, X Ding, J Sun, J Deng - Materials Today Communications, 2020 - Elsevier
An excellent infrared window material should have both high transmittance and good
mechanical strength to adapt to applications in harsh environments. In this report, we use …

Large-scale local-orbital DFT calculations of Si-Ge core-shell nanowires

SY Mujahed - 2022 - discovery.ucl.ac.uk
Nanowires, represent the smallest device dimensionality for efficient transport of electrons
and other more exotic quasiparticles. Among a plethora of applications identified, research …

Applications of irreversible thermodynamics to rapid solidification of multicomponent alloys

K Wang, F Liu - Materials Science and Technology, 2015 - journals.sagepub.com
Solidification, as the key step in physical metallurgy, plays a decisive role in tuning the
various properties of materials. From a thermodynamic perspective, the solidification …

Using a scale-bridging technique to determine the effect of elastic properties on stress distribution around the femoral stem of an artificial hip joint with a simplified …

CU Jeong, SC Lee, HN Rhee, KS Park… - Metals and Materials …, 2014 - Springer
A scale-bridging technique was used to investigate the effect of the elastic properties of β-Ti
alloys on the stress distribution around the femoral stem of an artificial hip joint with a …

Doctoral Program

J Offers - artificial intelligence, 2023 - mpie.de
The intrinsically high local cooling and solidification rates of laser melting can lead to unique
changes in chemical ordering including at microstructural defects. Within this space, we …