A5068606788- Glass properties and applications
- Material Dynamics and Properties
- Molecular Junctions and Nanostructures
- Force Microscopy Techniques and Applications
- Mineralogy and Gemology Studies
- Metallic Glasses and Amorphous Alloys
- Advanced ceramic materials synthesis
- Phase Equilibria and Thermodynamics
- Cellular Mechanics and Interactions
- Crystallization and Solubility Studies
- Recycling and utilization of industrial and municipal waste in materials production
- Building materials and conservation
- Photonic Crystals and Applications
- Polymer Surface Interaction Studies
- Monoclonal and Polyclonal Antibodies Research
- Synthesis and properties of polymers
- nanoparticles nucleation surface interactions
- Adhesion, Friction, and Surface Interactions
- Cell Adhesion Molecules Research
- Luminescence Properties of Advanced Materials
- Nuclear materials and radiation effects
- Microwave Dielectric Ceramics Synthesis
- Pigment Synthesis and Properties
- Gold and Silver Nanoparticles Synthesis and Applications
- Lichen and fungal ecology
Corning (United States)
2014-2023
Research & Development Corporation
2019
Louisiana State University
2005-2006
Understanding the interaction between polyimide and inorganic surfaces is vital in controlling interfacial adhesion behavior. Here, molecular dynamics simulations are employed to study of on both crystalline glassy silica surfaces, effects hydroxylation, structure, chemistry investigated. The results reveal that monomers have stronger hydroxylated compared nonhydroxylated surfaces. Also, onto glass corresponding Finally, we explore origins understand why some like Kapton a per unit area...
Abstract We report a toughening mechanism of Li 2 O‐2SiO glass‐ceramics induced by intriguing anisotropic deformation behavior lithium disilicate nanocrystal under tensile loadings using molecular dynamics simulations. The undergoes clear brittle cleavage when loaded in the [010] direction, while exhibiting first‐order deformation‐induced transition [100] direction. is exclusively facilitated local Li–O bond breaking, which spreads to whole sample continuous loading. This hierarchical...
Abstract For over 40 years, measurements of the nucleation rates in a large number silicate glasses have indicated breakdown Classical Nucleation Theory at temperatures below that peak rate. The data show instead steadily decreasing with temperature, work critical cluster formation enters plateau and even starts to increase. Many explanations been offered explain this anomaly, but none provided satisfactory answer. We present an experimental approach demonstrate explicitly for example 5BaO ∙...
Abstract Nucleation is generally viewed as a structural fluctuation that passes critical size to eventually become stable emerging new phase. However, this concept leaves out many details, such changes in cluster composition and competing pathways the In work, both experimental computer modeling studies are used understand pathways. Monte Carlo molecular dynamics approaches analyze thermodynamic kinetic contributions nucleation landscape barium silicate glasses. Experimental techniques...
Understanding the interface between organic and inorganic materials presents many challenges due to complex chemistries involved. Modeling experimental work have elucidated only a few facets of physical chemical nature adhesion such surfaces. In this work, we use density functional theory understand five different crystal surfaces (two-dimensional silica, both sides kaolinite, hydroxylated quartz, albite) with molecules (benzene, phenol, phthalimide, N-phenylmaleimide, diphenyl ether)....
Abstract Predicting crystal nucleation behavior in glass-ceramic materials is important to create new for high-tech applications. Modeling the evolution of microstructures a challenging problem due complex nature and growth processes. We introduce an implicit glass model (IGM) which, through application Generalized Born solvation model, effectively replaces with continuous medium. This permits computational efforts focus on nucleating atomic clusters or undissolved impurities that serve as...
The AVUS−HR approach, which combines histogram reweighting with aggregation-volume-bias Monte Carlo nucleation simulations using self-adaptive umbrella sampling, was extended to multicomponent systems. It applied investigate the homogeneous vapor−liquid for binary n-nonane/1-alcohol series, including n-nonane/methanol, n-nonane/ethanol, n-nonane/1-propanol, n-nonane/1-butanol, n-nonane/1-hexanol, and n-nonane/1-decanol simple transferable potentials phase equilibria-united atom force field...
Recent experiments reveal unusual nucleation behavior for seemingly simple mixtures that cannot be described by the classical theory. Molecular simulations using a combination of aggregation-volume-bias Monte Carlo, umbrella sampling, and histogram reweighting methods were carried out to study events involved in water/ethanol, water/n-nonane, n-nonane/ethanol mixtures. These reproduced their different nonideal behaviors observed experiments. Furthermore, finding strikingly distinct...
Abstract The accuracy of a differential thermal analysis (DTA) technique for predicting the temperature range significant nucleation is examined in BaO∙2SiO 2 glass by iterative numerical calculations. model takes account time‐dependent nucleation, finite particle size, size‐dependent crystal growth rates, and surface crystallization. calculations were made using classical and, first time, diffuse interface theories nucleation. results are agreement with experimental measurements,...
Over the past 40 years measurements of nucleation rates in a large number silicate glasses have indicated breakdown widely used Classical Nucleation Theory (CNT) for temperatures below that peak rate. The data show instead steadily decreasing with temperature, work critical cluster formation enters plateau, and even starts to increase. While many explanations been offered explain this anomaly, none provided satisfactory answer. We present first experimental results demonstrate anomaly is not...
Glass structures of multicomponent oxide systems (CaO-Al2O3-SiO2) are studied using a simulated pulsed laser with molecular dynamics. The short- and intermediate-range order revealed direct correlation between the transformation Al(IV) to Al(V), regions increased density following processing, inherent reduction in average T-O-T (T = Al, Si) angle, associated elongation T-O bonding distance. Variable pulse energies were across calcium aluminosilicate glasses high silica content (50-80%)...
Nucleation is generally viewed as a structural fluctuation that passes critical size to eventually become stable emerging new phase. However, this concept leaves out many details, such changes in cluster composition and competing pathways the In work, both experimental computer modeling studies are used understand pathways. Monte Carlo molecular dynamics approaches analyze thermodynamic kinetic contributions nucleation landscape barium silicate glasses. Experimental techniques examine...