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5 papers · 2 filters
Electronic features around Fermi level correlating to occurrence of magnetism or superconductivity in Laves-phase intermetallic compounds
Xing-Qiu Chen, Shu-Lan Wang, Xue-Yong Ding +1
Based on density functional calculations, the relationship between magnetism or superconductivity and electronic states around Fermi level were derived, and the location of the Fer…
Dyson Orbitals, Quasi-Particle effects and Compton scattering
B. Barbiellini, A. Bansil
Dyson orbitals play an important role in understanding quasi-particle effects in the correlated ground state of a many-particle system and are relevant for describing the Compton s…
Quantitative Phase Field Model of Alloy Solidification
Blas Echebarria, Roger Folch, Alain Karma +1
We present a detailed derivation and thin interface analysis of a phase-field model that can accurately simulate microstructural pattern formation for low-speed directional solidif…
A new polymorphic material? Structural degeneracy of ZrMn_2
Xing-Qiu Chen, W. Wolf, R. Podloucky +2
Based on density functional calculations, we propose that ZrMn_2 is a polymorphic material. We predict that at low temperatures the cubic C15, and the hexagonal C14 and C36 structu…
Unsteady Crack Motion and Branching in a Phase-Field Model of Brittle Fracture
Alain Karma, Alexander E. Lobkovsky
Crack propagation is studied numerically using a continuum phase-field approach to mode III brittle fracture. The results shed light on the physics that controls the speed of accel…