Related papers: Combining phase field crystal methods with a Cahn-…
The Cahn-Hilliard equation is a fundamental model that describes phase separation processes of two-phase flows or binary mixtures. In recent years, the dynamic boundary conditions for the Cahn-Hilliard equation have been proposed and…
The electronic structure of materials is fundamentally governed by their crystal symmetry. While most research on two-dimensional materials has focused on hexagonal lattices, such as graphene, hexagonal boron nitride, and transition metal…
Crystal structures of simple metals and binary alloy phases based on the close-packed hexagonal structure are analyzed within the model of Fermi sphere-Brillouin zone interactions to understand distortions and superlattices. Examination of…
Elastic interactions arising from a difference of lattice spacing between two coherent phases can have a strong influence on the phase separation (coarsening) of alloys. If the elastic moduli are different in the two phases, the elastic…
We derive the amplitude expansion for a phase-field-crystal (APFC) model that captures the basic physics of magneto-structural interactions. The symmetry breaking due to magnetization is demonstrated, and the characterization of the…
Cracking of rocks and rock-like materials exhibits a rich variety of patterns where tensile (mode I) and shear (mode II) fractures are often interwoven. These mixed-mode fractures are usually cohesive (quasi-brittle) and frictional.…
We study thermodynamics of strongly coupled lattice QCD with two colors of massless staggered fermions as a function of the baryon chemical potential $\mu$ in 3+1 dimensions using a new cluster algorithm. We find evidence that the model…
We performed an X-ray diffraction experiment while palladium bulk absorbed and desorbed hydrogen to investigate the behavior of the crystalline lattice during the phase transition between the $\alpha$ phase and $\beta$ phase. Fast growth of…
We introduce a fast solver for the phase field crystal (PFC) and functionalized Cahn-Hilliard (FCH) equations with periodic boundary conditions on a rectangular domain that features the preconditioned Nesterov accelerated gradient descent…
We apply the phase field crystal model to study the structure and energy of symmetric tilt grain boundaries of bcc iron in 3D. The parameters for the model are obtained by using a recently developed eight-order fitting scheme [A. Jaatinen…
Fracture mechanics is crucial for many fields of engineering, as precisely predicting failure of structures and parts is required for efficient designs. The simulation of failure processes is, from a mechanical and a numerical point of…
This paper presents a modeling framework to describe the driving mechanisms of cyclic failure in brittle and ductile materials, including cyclic plasticity and fatigue crack growth. A variational model is devised using the energetic…
Finite-temperature phase transitions in quasi-one-dimensional quarter-filled systems are investigated by the extended Hubbard model with electron-lattice coupling. Using a quantum Monte Carlo method combined with the inter-chain mean-field…
Numerous full-field numerical methods exist concerning the digital description of polycrystalline materials and the modeling of their evolution during thermomechanical treatments. However, these strategies are globally dedicated to the…
We theoretically map out the ground state phase diagram of interacting dipolar fermions in one-dimensional lattice. Using a bosonization theory in the weak coupling limit at half filing, we show that one can construct a rich phase diagram…
The growth and microstructural properties of ternary monolayers of two-dimensional hexagonal materials are examined, including both individual two-dimensional crystalline grains and in-plane heterostructures, multijunctions, or…
Despite of the appearance of numerous new materials, the iron based alloys and steels continue to play an essential role in modern technology. The properties of a steel are determined by its structural state (ferrite, cementite, pearlite,…
In this work, we present a 3D Phase Field Dislocation Dynamics (PFDD) model for body-centered cubic (BCC) metals. The model formulation is extended to account for the dependence of the Peierls barrier on the line-character of the…
A theoretically supported experimental study of the (1-x)LaFeO3.xLaMnO3 (LFO-LMO) solid solution is being reported for the first time which reveals a phase transformation from the Pbnm and R3-c phase at a chemical composition of x=0.625.…
We study a simple 2-d model representing two fields with different mass and a 3-point coupling term. The phase shift in the resonating 2-particle channel is determined from the energy spectrum obtained in Monte Carlo simulations on finite…