Related papers: Atomic motion in solids with dimpled potentials
Numerous soft materials jam into an amorphous solid at high packing fraction. This non-equilibrium phase transition is best understood in the context of a model system in which particles repel elastically when they overlap. Recently,…
Our investigations on porous Si show that on increase of pressure it undergoes crystalline phase transitions instead of pressure induced amorphization - claimed earlier, and the amorphous phase appears only on release of pressure. This…
We study the dynamics of hard-core bosons on ladders, in the presence of strong kinetic constrains akin to those of the Bariev model. We use a combination of analytical methods and numerical simulations to establish the phase diagram of the…
In this study, a new alternative model algorithm has been proposed for assembling amorphous structures, unifying the bosonic paradigm applicable at low temperatures with crystalline models relevant at room and higher temperatures. Physical…
A system of $N_a$ atoms of $n$-levels interacting dipolarly with $\ell$ modes of electromagnetic field is considered. The energy surface of the system is constructed from the direct product of the coherent states of U$(n)$ in the totally…
It is demonstrated by analyzing real examples that phase transitions in layered crystals occur like all other solid-state phase transitions by nucleation and crystal growth, but have a specific morphology. There the nucleation is epitaxial,…
Decomposition of atomic motion into individual normal modes has led to remarkable success in microscopically understanding thermal properties and thermodynamics in simple solids. We start this chapter with an example of decomposing atomic…
It is observed that low-lying transitions of an interstitial hydrogen adatom on a metallic lattice correspond classically to dipoles oscillating at frequencies where band electrons typically have a low electromagnetic absorption. Such…
Phonons, quantized vibrations of the atomic lattice, are fundamental to understanding thermal transport, structural stability, and phase behavior in crystalline solids. Despite advances in computational materials science, most predictions…
The process of structural relaxation in disordered solids subjected to repeated tension-compression loading is studied using molecular dynamics simulations. The binary glass is prepared by rapid cooling well below the glass transition…
Understanding how a flow turns into an amorphous solid is a fundamental challenge in statistical physics, during which no apparent structural ordering appears. In the athermal limit, the two states are connected by a well-defined jamming…
In simulations of metallic interfaces, a critical aspect of metallic behavior is missing from the some of the most widely used classical molecular dynamics force fields. We present a modification of the embedded atom method (EAM) which…
A two PDEs-based model is developed for studies of a morphological and compositional evolution of a thermodynamically stable alloy surface in a strong electric field, assuming different and anisotropic diffusional mobilities of the two…
We present a joint theoretical and experimental study to investigate polymorphism in $\alpha$-sexithiophene (6T) crystals. By means of density-functional theory calculations, we clarify that the low-temperature phase is favorable over the…
Polymorphism is ubiquitous in crystalline solids. Amorphous solids, such as glassy water and silicon, may undergo amorphous-to-amorphous transitions (AATs). The nature of AATs remains ambiguous, due to diverse system-dependent behaviors and…
Lattice dynamical methods used to predict phase-transformations in crystals typically evaluate the harmonic phonon spectra and therefore do not work in frequent and important situations where the crystal structure is unstable in the…
Phonons, as quantized vibrational modes in crystalline materials, play a crucial role in determining a wide range of physical properties, such as thermal and electrical conductivity, making their study a cornerstone in materials science. In…
We investigate the dynamical properties of asymmetric nuclear matter at low density. The occurrence of new instabilities, that lead the system to a dynamical fragment formation, is illustrated, discussing in particular the charge symmetry…
The particle motion associated to the {\alpha}-relaxation in supercooled liquids is still challenging scientists due to its difficulty to be probed experimentally. By combining synchrotron techniques, we found the existence of microscopic…
Low-temperature properties of crystalline solids can be understood using harmonic perturbations around a perfect lattice, as in Debye's theory. Low-temperature properties of amorphous solids, however, strongly depart from such descriptions,…