Related papers: Structural phase transformations in metallic grain…

A model for phase transitions initiated on grain boundaries is proposed and tested against numerical simulations: this approach based on a grain explicit model (GEM) allows to consider the granular structure, yielding accurate predictions…

Many systems where a liquid metal is in contact with a polycrystalline solid exhibit deep liquid grooves where the grain boundary meets the solid-liquid interface. For example, liquid Ga quickly penetrates deep into grain boundaries in Al,…

Nucleation, commonly associated with discontinuous transformations between metastable and stable phases, is crucial in fields as diverse as atmospheric science and nanoscale electronics. Traditionally, it is considered a microscopic process…

Ultranonocrystalline diamond/hydrogenated amorphous carbon composite thin films consist of three different components; ultrananocrystalline diamond crystallites, hydrogenated amorphous carbon, and grain boundaries between them. Since grain…

Among numerous challenges to meet the rising global energy demand in a sustainable manner, improving phase change heat transfer has been at the forefront of engineering research for decades. The high heat transfer rates associated with…

Grain boundaries (GBs) are a prolific microstructural feature that dominates the functionality of a wide class of materials. The change in functionality at a GB is a direct result of unique local atomic arrangements, different from those in…

As phenomena that necessarily emerge from the collective behavior of interacting particles, phase transitions continue to be difficult to predict using statistical thermodynamics. A recent proposal called the topological hypothesis suggests…

Significant grain growth is observed during the high-pressure phase transformations (PTs) at room temperature within an hour for various materials. However, no existing theory explains this phenomenon since nanocrystals do not grow at room…

Optical metasurfaces have enabled high-speed, low-power image processing within a compact footprint. However, reconfigurable imaging in such flat devices remains a critical challenge for fully harnessing their potential in practical…

The investigation of the Hamiltonian dynamical counterpart of phase transitions, combined with the Riemannian geometrization of Hamiltonian dynamics, has led to a preliminary formulation of a differential-topological theory of phase…

We adopt a three-level bosonic model to investigate the quantum phase transition in an ultracold atom-molecule conversion system which includes one atomic mode and two molecular modes. Through thoroughly exploring the properties of energy…

A string of trapped ions at zero temperature exhibits a structural phase transition to a zigzag structure, tuned by reducing the transverse trap potential or the interparticle distance. The transition is driven by transverse, short…

Hydrogen-induced multi-spot corrosion on the surface of polycrystalline rare metals is a complex process, which involves the interactions between phases (metal, hydride and oxide), grain orientations, grain boundaries, and corrosion spots.…

In magnesium alloys with multiple substitutional elements, solute segregation at grain boundaries (GBs) has a strong impact on many important material characteristics, such as GB energy and mobility, and therefore, texture. Although it is…

Grain growth in polycrystalline materials can be impeded by grain boundary (GB) stagnation. Using atomistic simulations, we observed that during GB migration, the disruptive jumps of a few GB atoms can disturb the original ordered…

The kinetics of collective rearrangements in solution, such as protein folding and nanocrystal phase transitions, often involve free energy barriers that are both long and rough. Applying methods of transition path sampling to harvest…

Machine-learned interatomic potentials are revolutionising atomistic materials simulations by providing accurate and scalable predictions within the scope covered by the training data. However, generation of an accurate and robust training…

Electric fields and currents, which are used in innovative materials processing and electrochemical energy conversion, can often alter microstructures in unexpected ways. However, little is known about the underlying mechanisms. Using…

Grain microstructures are crucial to the mechanical properties, performance, and often lifetime of metallic components. Hence, the prediction of grain microstructures emerging from solidification processes at relevant macroscopic scale is…

Layered transition metal dichalcogenides (TMDs) offer many attractive features for next-generation low-dimensional device geometries. Due to the practical and fabrication challenges related to in situ methods, the atomistic dynamics that…