Related papers: Model for crystallization kinetics: Deviations fro…
Controlling polymorphism in molecular crystals is crucial in the pharmaceutical, dye, and pesticide industries. However, its theoretical description is extremely challenging, due to the associated long timescales ($ > 1 \, \mu s$). We…
Magnetic anisotropy (MA) plays a crucial role in deciding both static and dynamic behaviour of magnetic thin films. It controls various phenomena, such as magnetization reversal, domain formation, domain-wall motion, spin-wave generation,…
A mesoscopic model for shear plasticity of amorphous materials in two dimensions is introduced, and studied through numerical simulations in order to elucidate the macroscopic (large scale) mechanical behavior. Plastic deformation is…
First-principles based modeling on phonon dynamics and transport using density functional theory and Boltzmann transport equation has proven powerful in predicting thermal conductivity of crystalline materials, but it remains unfeasible for…
Cappellari (2008) presented a flexible and efficient method to model the stellar kinematics of anisotropic axisymmetric and spherical stellar systems. The spherical formalism could be used to model the line-of-sight velocity second moments…
We propose a framework to model elastic properties of polycrystals by coupling crystal orientational degrees of freedom with elastic strains. Our model encodes crystal symmetries and takes into account explicitly the strain compatibility…
Anomalous Hall crystals (AHCs) are exotic phases of matter that simultaneously break continuous translation symmetry and exhibit the quantum anomalous Hall effect. AHCs have recently been proposed to explain the observation of an integer…
We present a simple model to account for the rheological behavior observed in recent experiments on micellar gels. The model combines attachment-detachment kinetics with stretching due to shear, and shows well-defined jammed and flowing…
Fractal patterns are observed in computational mechanics of elastic-plastic transitions in two models of linear elastic/perfectly-plastic random heterogeneous materials: (1) a composite made of locally isotropic grains with weak random…
Controlling a state of material between its crystalline and glassy phase has fostered many real-world applications. Nevertheless, design rules for crystallization and vitrification kinetics still lack predictive power. Here, we identify…
A comparison is made between conventional Michaelis-Menten kinetics and two models that take into account the duration of the conformational changes that take place at the molecular level during the catalytic cycle of a monomer. The models…
A class of kinetically constrained models with reflection symmetry is proposed as an extension of the Fredrickson-Andersen model. It is proved that the proposed model on the square lattice exhibits a freezing transition at a non-trivial…
Cubic energy materials such as thermoelectrics or hybrid perovskite materials are often understood to be highly disordered. In GeTe and related IV-VI compounds, this is thought to provide the low thermal conductivities needed for…
Chiral active matter is a variant of active matter systems in which the motion of the constituent particles violates mirror symmetry. In this letter, we simulate two-dimensional chiral Active Brownian Particles, the simplest chiral model in…
Kinetics of separation between the low and high density phases in a single component Lennard-Jones model has been studied via molecular dynamics simulations, at a very low temperature, in the space dimension $d=2$. For densities close to…
Even though it has been known for decades that the magnetocrystalline anisotropy is linked to the spin-orbit coupling (SOC), the mechanism how it arises for specific systems is still subject of debate. We focused on finding markers of SOC…
Tailoring the nanomorphology of organic photoactive layers through a specialized chain of processing steps is an imperative challenge on the path towards reliable and performant organic electronic manufacturing. This hurdle generally proves…
The amplitude expansion for a magnetic phase-field-crystal (magnetic APFC) model enables a convenient coarse-grained description of crystalline structures under the influence of magnetic fields. Considering higher-order magnetic coupling…
Kinetically constrained models (KCM) are systems with trivial thermodynamics but often complex dynamical behavior due to constraints on the accessible paths followed by the system. Exploring these properties, the Kob-Andersen (KA) model was…
The mechanical response of naturally abundant amorphous solids such as gels, jammed grains, and biological tissues are not described by the conventional paradigm of broken symmetry that defines crystalline elasticity. In contrast, the…