Suchergebnisse
Alle Typen
Zeitschriftenartikel (76)
1.
Zeitschriftenartikel
187 (11), 110065 (2021)
A fully automated approach to calculate the melting temperature of elemental crystals. Computational Materials Science 2.
Zeitschriftenartikel
192, 108716 (2020)
Design of a dual-phase hcp-bcc high entropy alloy strengthened by ω nanoprecipitates in the Sc–Ti–Zr–Hf–Re system. Materials and Design 3.
Zeitschriftenartikel
101 (14), 144108 (2020)
Performance of the standard exchange-correlation functionals in predicting melting properties fully from first principles: Application to Al and magnetic Ni. Physical Review B 4.
Zeitschriftenartikel
4 (2), 023608 (2020)
Correlation analysis of strongly fluctuating atomic volumes, charges, and stresses in body-centered cubic refractory high-entropy alloys. Physical Review Materials 5.
Zeitschriftenartikel
128 (15), 0025310 (2020)
Frontiers in atomistic simulations of high entropy alloys. Journal of Applied Physics 6.
Zeitschriftenartikel
123 (23), 235501 (2019)
Phonon Lifetimes throughout the Brillouin Zone at Elevated Temperatures from Experiment and Ab Initio. Physical Review Letters 7.
Zeitschriftenartikel
5 (1), 80 (2019)
Ab initio vibrational free energies including anharmonicity for multicomponent alloys. npj Computational Materials 8.
Zeitschriftenartikel
100 (10), 104110 (2019)
Ab initio based method to study structural phase transitions in dynamically unstable crystals, with new insights on the β to ω transformation in titanium. Physical Review B 9.
Zeitschriftenartikel
166, S. 134 - 138 (2019)
Basal slip in laves phases: The synchroshear dislocation. Scripta Materialia 10.
Zeitschriftenartikel
147, S. 464 - 511 (2019)
Ab initio phase stabilities and mechanical properties of multicomponent alloys: A comprehensive review for high entropy alloys and compositionally complex alloys. Materials Characterization 11.
Zeitschriftenartikel
98, 224106 (2018)
Temperature dependence of the stacking-fault Gibbs energy for Al, Cu, and Ni. Physical Review B 12.
Zeitschriftenartikel
4 (1), 64 (2018)
A machine learning approach to model solute grain boundary segregation. npj Computational Materials 13.
Zeitschriftenartikel
161, S. 412 - 419 (2018)
Dislocation slip transmission through a coherent Σ3{111} copper twin boundary: Strain rate sensitivity, activation volume and strength distribution function. Acta Materialia 14.
Zeitschriftenartikel
3, 900 (2018)
GB code: A grain boundary generation code. The Journal of Open Access Software 15.
Zeitschriftenartikel
121 (12), 125902 (2018)
Anomalous Phonon Lifetime Shortening in Paramagnetic CrN Caused by Spin-Lattice Coupling: A Combined Spin and Ab Initio Molecular Dynamics Study. Physical Review Letters 16.
Zeitschriftenartikel
97 (21), 214106 (2018)
Temperature dependence of the Gibbs energy of vacancy formation of fcc Ni. Physical Review B 17.
Zeitschriftenartikel
Self-reduction for protection of metallic materials. Chernye Metally (6), S. 37 - 38 (2018)
18.
Zeitschriftenartikel
148, S. 249 - 259 (2018)
Calculating free energies of point defects from ab initio. Computational Materials Science 19.
Zeitschriftenartikel
2 (4), 043601 (2018)
Migration mechanisms of a faceted grain boundary. Physical Review Materials 20.
Zeitschriftenartikel
2 (3), 030601 (2018)
Impact of asymmetric martensite and austenite nucleation and growth behavior on the phase stability and hysteresis of freestanding shape-memory nanoparticles. Physical Review Materials