Related papers: A length-scale insensitive cohesive phase-field in…
A nonlinear phase-field model is developed to simulate corrosion damage. The motion of the electrode$-$ electrolyte interface follows the usual kinetic rate theory for chemical reactions based on the Butler-Volmer equation. The model links…
Fatigue fracture is one of the main causes of failure in structures. However, the simulation of fatigue crack growth is computationally demanding due to the large number of load cycles involved. Metals in the low cycle fatigue range often…
Coherency misfit stresses and their related anisotropies are known to influence the equilibrium shapes of precipitates. Additionally, mechanical properties of the alloys are also dependent on the shapes of the precipitates. Therefore, in…
Density Functional Theory (DFT) calculations of electrode material properties in high energy density storage devices like lithium batteries have been standard practice for decades. In contrast, DFT modelling of explicit interfaces in…
At thermal equilibrium, the concept of effective central charge for massive deformations of two-dimensional conformal field theories (CFT) is well understood, and can be defined by comparing the partition function of the massive model to…
We construct a new phase-field model for the solvation of charged molecules with a variational implicit solvent. Our phase-field free-energy functional includes the surface energy, solute-solvent van der Waals dispersion energy, and…
Lithium-ion batteries exhibit complex nonlinear dynamics, resulting from diffusion and phase transformations coupled to ion intercalation reactions. Using the recently developed Cahn-Hilliard reaction (CHR) theory, we investigate a simple…
In recent years, interfacial fracture becomes one of the most important problems in the assessment of reliability of electronics packaging. Especially, underfill resin is used with solder joints in flip chip packaging for preventing the…
Phase-field models are a leading approach for realistic fracture problems. They treat the crack as a second phase and use gradient terms to smear out the crack faces, enabling the use of standard numerical methods for simulations. This…
Charge Coupled Devices (CCDs) have been successfully used in several high energy physics experiments over the past two decades. Their high spatial resolution and thin sensitive layers make them an excellent tool for studying short-lived…
The phase-field model for fracture, despite its popularity and ease of implementation comes with its set of computational challenges. They are the non-convex energy functional, variational inequality due to fracture irreversibility, the…
Here, we review the basic concepts and applications of the phase-field-crystal (PFC) method, which is one of the latest simulation methodologies in materials science for problems, where atomic- and microscales are tightly coupled. The PFC…
We propose a novel variational phase-field model for fracture in anisotropic materials. The model is specifically designed to allow a more flexible calibration of crack nucleation than existing anisotropic fracture formulations, while…
In this paper a general multi-phase-field model is presented which is an extension and modification of the model proposed by Folch and Plapp for three phase fields [R. Folch and M. Plapp, Phys. Rev. E 72 011602 (2005)] to the arbitrary…
By means of Density Functional Theory calculations we evaluate several lithium carbonate - graphite interface models as a prototype of the Solid Electrolyte Interphase capping layer on graphite anodes in lithium-ion batteries. It is found…
A phase-field model is used to capture the surfactant-driven formation of fracture patterns in particulate monolayers. The model is intended for the regime of closely-packed systems in which the mechanical response of the monolayer can be…
We present a new phase-field model of solidification which allows efficient computations in the regime when interface kinetic effects dominate over capillary effects. The asymptotic analysis required to relate the parameters in the…
Heterogeneous interfaces are central to many energy-related applications in the nanoscale. From the first-principles electronic structure perspective, one of the outstanding problems is accurately and efficiently calculating how the…
The standard model of enhanced ionic conductivities in solid electrolyte heterostructures follows from a continuum mean-field description of defect distributions that makes no reference to crystalline structure. To examine ionic transport…
Different formulations of interfacial force have been adopted in phase-field-based lattice Boltzmann method for two-phase flows. Although they are identical mathematically, their numerical performances may be different due to truncation…