相关论文: Templated Grain Growth in Macroporous Materials
Thermoplastic starch (TPS) is an excellent film-forming material, and adding fillers such as tetramethylammonium-montmorillonite (TMA-MMT) clay has significantly expanded its use in packaging applications. We first used all-atom (AA)…
Monolithic integration of III-V optoelectronic devices with materials for various functionalities inexpensively is always desirable. Polysilicon (poly-Si) is an ideal platform because it is dopable and semi-conducting and can be deposited…
The discovery of new materials is essential for enabling technological advancements. Computational approaches for predicting novel materials must effectively learn the manifold of stable crystal structures within an infinite design space.…
The interest in tellurium nanostructures is on the rise due to their outstanding physical properties including high carrier mobility, anisotropic charge conduction, photoconductivity, thermoelectricity, and piezoelectricity. Applications in…
Thin-film solid-state metal dealloying (thin-film SSMD) is a promising method for fabricating nanostructures with controlled morphology and efficiency, offering advantages over conventional bulk materials processing methods for integration…
This work aimed to mathematically model the glass transition temperature (Tg), one of the most important parameters regarding the behavior of slag, responsible for the sudden change in thermomechanical properties of non-crystalline…
Nanostructured tungsten has been reported as a possible alternative plasma-facing material due to its potential ability to self-heal radiation-induced defects, a property that is attributed to its high density of grain boundaries (GB).…
Chemically synthesized single-crystalline gold microplates have been attracting increasing interests because of their potential as high-quality gold films for nanotechnology. We present the growth of tens of nanometer thick and tens of…
Discovering new materials is a challenging task in materials science crucial to the progress of human society. Conventional approaches based on experiments and simulations are labor-intensive or costly with success heavily depending on…
A thermodynamically consistent multiphase phase-field approach for stress and temperature-induced martensitic phase transformation at the nanoscale and under large strains is developed. A total of N independent order parameters are…
The metastable vapor-liquid coexistence of short-range attractive fluids hinders the formation of crystal nuclei, which in turn makes difficult the progress of the system towards its vapor-solid ground state. In this letter we show that…
Materials with extreme photonic properties such as maximum diffuse reflectance, high albedo, or tunable band gaps are essential in many current and future photonic devices and coatings. While photonic crystals, periodic anisotropic…
The growth rates and chemical ordering of ferroelectric alloys are studied with kinetic Monte Carlo (KMC) simulations using an electrostatic model with long-range Coulomb interactions, as a function of temperature, chemical composition, and…
Remarkable optical and electrical properties of two-dimensional (2D) materials, such as graphene and transition-metal dichalcogenide (TMDC) monolayers, offer vast technological potential for novel and improved optoelectronic nanodevices,…
Training-free conditional diffusion provides a flexible alternative to task-specific conditional model training, but existing samplers often allocate computation inefficiently: independent guided trajectories can vary widely in quality, and…
Properties of twist grain boundaries (TGB), long known structurally but not tribologically, are simulated under sliding and load, with Au(111) our test case. The load-free TGB moir\'e is smooth and superlubric at incommensurate twists.…
In this study, the effect of alumina and modified alumina nanoparticles in a PMMA/alumina nanocomposite was investigated. To attain this goal, the glass transition behavior of poly methyl methacrylate (PMMA), PMMA/alumina and…
Nonlinear optical (NLO) imaging has emerged as a promising plant cell imaging technique due to its large optical penetration, inherent 3D spatial resolution, and reduced photodamage, meanwhile exogenous nanoprobes are usually needed for…
Dopants can significantly affect the properties of oxide ceramics through their impact on the property-determined microstructure characteristics such as grain boundary (GB) segregation, space charge layer formation in the GB vicinity, and…
Rapid solidification in Additively Manufactured (AM) metallic materials results in the development of significant microscale internal stresses, which are attributed to the printing induced dislocation substructures. The resulting backstress…