Search results for "dynamics."

Erratum: “Nanoscale x-ray imaging of spin dynamics in yttrium iron garnet” [J. Appl. Phys. 126, 173909 (2019)]

2021

Some Aspects of the Influence of Particle Size on Properties and Behaviour of a Dielectric Material : Example of Barium Titanate

1989

Anybody agrees with the idea that particle size plays an important role in the behaviour of a polycrystalline material but very few studies are giving precise information about this role. In this paper some experimental results are presented succintly to illustrate the importance of this physico-chemical factor. They are related to barium titanate, the main component of the dielectric material in the type II ceramic capacitors.

Influence of molecular parameters on the elongational behaviour of different polyethylenes and their blends

1988

Elongational data on a large number of polyethylene samples with different structures and their blends are presented in order to evaluate the influence of the molecular weight and molecular weight distribution for a given degree of long chain branching. The elongational viscosity rises with the number of branch points and also with molecular weight and molecular weight distribution. Simple relationships between elongational viscosity at a given deformation and molecular parameters are presented.

Thermodynamic theory of finite thickness of polyethylene crystals

1962

Magnetic Resonance Studies of the Heterogeneous Rotational and Translational dynamics in Disordered Materials

2008

Computer Simulations of Undercooled Fluids and Glasses

2007

An introduction to the Molecular Dynamics (MD) simulation of chemically realistic models for undercooled fluids and glasses is given, emphasizing silicatic materials such as molten silicon dioxide and its mixtures with sodium oxide and aluminium oxide, and comparing the simulation results to experimental data whenever possible.

Energetic analysis of succinic acid in water droplets: insight into the size-dependent solubility of atmospheric nanoparticles

2021

<p>Size-dependent solubility is prevalent in atmospheric nanoparticles, but a molecular level understanding is still insufficient, especially for organic compounds. Here, we performed molecular dynamics simulations to investigate the size dependence of succinic acid solvation on the scale of ~1-4 nm with the potential of mean forces method. Our analyses reveal that the surface preference of succinic acid is stronger for a droplet than the slab of the same size, and the surface propensity is enhanced due to the curvature effect as the droplet becomes smaller. Energetic analyses show that such surface preference is primarily an enthalpic effect in both systems, while the entropi…

Prediction of Indices of Refraction and Glass Transition Temperatures of Linear Polymers by Using Graph Theoretical Indices

2002

Graph theoretical indices were exclusively used in the prediction of indices of refraction, n, and glass transition temperatures, Tg, into a group of addition polymers. Models with 10 variables were selected for the prediction of n (r = 0.981, SEE = 0.0147) and Tg/M (r = 0.946, SEE = 0.439). The average errors in the predictions were 0.69% and 12.7% for n and Tg, respectively. The descriptors involved in these models were calculated from the structures of the monomers.

A Photochemical One-Pot Three-Component Synthesis of Tetrasubstituted Imidazoles

2014

Tetrasubstituted imidazoles can be formed in a photochemical one-pot synthesis from aldehydes, α-aminonitriles, and isoxazoles. Condensation of the first two components produces α-(alkylideneamino)nitriles which react under basic conditions with the acylazirines formed in situ by photochemical ring transformation of the isoxazole component. This process includes an unusual cleavage of the C(2)-C(3) bond of the acylazirine. The reaction mechanism was studied by DFT calculations.

Isobaric Vapor−Liquid Equilibria for Binary and Ternary Mixtures with Cyclohexane, Cyclohexene, and 2-Methoxyethanol at 100 kPa

2009

Consistent vapor−liquid equilibria (VLE) data at 100 kPa have been determined for the ternary system cyclohexane + cyclohexene + 2-methoxyethanol and two constituent binary systems: cyclohexane + 2-methoxyethanol and cyclohexene + 2-methoxyethanol. Both binary systems deviate remarkably from ideal behavior presenting a minimum boiling point azeotrope. The VLE data have been correlated by the Wilson, UNIQUAC, and NRTL equations. The ternary system does not present an azeotrope and is well predicted from binary interaction parameters. Prediction with the UNIFAC method has been also obtained.