The relationship between the elastic shear modulus C’=1/2(C11-C12) and the atomic order state in a shape-memory binary alloy AxB1−x above its martensitic transition temperature is analyzed. We first present a simple method to evaluate the elastic constants in binary alloys, assuming the atoms interact via a two-body Morse potential. For CuZn and AgZn alloys, the potential parameters corresponding to the different A-A, B-B, and A-B pairs are determined from experimental data of the elastic constant C’ for different alloy compositions. We next calculate C’ at 0 K as a function of the ordering state. To do this, we use atomic configurations obtained with a Monte Carlo simulation of the Ising model for a bcc binary alloy, at each temperature Ti...
An active learning approach to train machine-learning interatomic potentials (moment tensor potentia...
The atomic-scale Monte Carlo simulation study focuses on the intrinsic behaviors of a defect-free cr...
We present a study of the influence of atomic order on the relative stability of the bcc and the 18R...
The relationship between the elastic shear modulus C’=1/2(C11-C12) and the atomic order state in a s...
Monte Carlo calculations of the isothermal elastic constants of the beta-CuxZn1-x alloy system as a ...
Monte Carlo calculations of the isothermal elastic constants of the beta-CuxZn1-x alloy system as a ...
The order–disorder and order–order phase transition temperatures in the austenitic phase of Cu-based...
Experimental data from ultrasonic and inelastic neutron scattering measurements are analyzed for dif...
Experimental data from ultrasonic and inelastic neutron scattering measurements are analyzed for dif...
At the time of the 50th anniversary of the Kohn-Sham method, ab initio calculations based on density...
Ab initio alloy theory, formulated within the exact muffin-tin orbitals method in combination with t...
An active learning approach to train machine-learning interatomic potentials (moment tensor potentia...
The temperature dependence of the sound velocities for 13 propagation modes has been measured in a s...
An active learning approach to train machine-learning interatomic potentials (moment tensor potentia...
Nous étudions la transition ordre-désordre d'un alliage ternaire A(BxC1- x) de métaux de transition ...
An active learning approach to train machine-learning interatomic potentials (moment tensor potentia...
The atomic-scale Monte Carlo simulation study focuses on the intrinsic behaviors of a defect-free cr...
We present a study of the influence of atomic order on the relative stability of the bcc and the 18R...
The relationship between the elastic shear modulus C’=1/2(C11-C12) and the atomic order state in a s...
Monte Carlo calculations of the isothermal elastic constants of the beta-CuxZn1-x alloy system as a ...
Monte Carlo calculations of the isothermal elastic constants of the beta-CuxZn1-x alloy system as a ...
The order–disorder and order–order phase transition temperatures in the austenitic phase of Cu-based...
Experimental data from ultrasonic and inelastic neutron scattering measurements are analyzed for dif...
Experimental data from ultrasonic and inelastic neutron scattering measurements are analyzed for dif...
At the time of the 50th anniversary of the Kohn-Sham method, ab initio calculations based on density...
Ab initio alloy theory, formulated within the exact muffin-tin orbitals method in combination with t...
An active learning approach to train machine-learning interatomic potentials (moment tensor potentia...
The temperature dependence of the sound velocities for 13 propagation modes has been measured in a s...
An active learning approach to train machine-learning interatomic potentials (moment tensor potentia...
Nous étudions la transition ordre-désordre d'un alliage ternaire A(BxC1- x) de métaux de transition ...
An active learning approach to train machine-learning interatomic potentials (moment tensor potentia...
The atomic-scale Monte Carlo simulation study focuses on the intrinsic behaviors of a defect-free cr...
We present a study of the influence of atomic order on the relative stability of the bcc and the 18R...