Lithium ion secondary batteries have a high voltage and a high energy density, as shown in Fig. 1, and are widely used in mobile devices such as cell phones, notebook PCs and PDAs. However, since lithium ion secondary batteries use a flammable organic liquid electrolyte, there is a risk of explosion or fire. Fire accidents can also occur due to contamination during production or from overchargi...

wheat germ is a by-product of milling industry rich in fiber, tocopherol, unsaturated fatty acids, polyphenol, minerals and protein. in this study, effect of adding raw and stabilized wheat germ on the characteristics of cake batter such as specific gravity, viscosity and cake properties such as volume, apparent density, solid density, porosity, water activity, moisture and firmness was studied...

In this work, we incorporated a quartic bond potential into a coarse-grained bead-spring model to study lubricant adsorption on a solid surface as well as depletion instability. The surface tension density and the number density profiles were examined to verify the solid-liquid and liquid-vapor interfaces during heat treatment. It was found that both the liquid-vapor interfacial thickness and t...

We use a combination of conventional density functional theory (DFT) and post-DFT methods, which include the local density approximation plus Hubbard U (LDA + U ), PBE0, and self-consistent GW, to study the electronic properties of Ni-substituted PbTiO3 (Ni-PTO) solid solutions. We find that LDA calculations yield unreasonable band structures, especially for Ni-PTO solid solutions that contain ...

The low/ultralow-velocity zones in the Earth's mantle can be explained by the presence of partial melting, critically depending on density contrast between the melt and surrounding solid mantle. Here, first-principles molecular dynamics simulations of (Mg, Fe) O ferropericlase in the solid and liquid states show that their densities increasingly approach each other as pressure increases. The is...

A well-known organic host, tris-o-phenylenedioxycyclotriphosphazene, exists in two polymorphic guest-free forms: the thermodynamic nonporous high-density phase and the kinetic nanoporous low-density phase. Simple pressurization of the high density phase with CO(2) brings a solid-state transformation to the low density phase, resulting in significant expansion of the crystal volume by 23%.