Materials Literature
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The highly flexible plasma system allows the independent flow control of plasma gas, carbonaceous feedstock and metal catalyst. Further important control parameters include current intensity and product quenching rate yielding in an excellent control of the thermal history of the carbon products. Temperature profiles…
We present a simulation tool to study fluid mixtures that are simultaneously chemically reacting and adsorbing in a porous material. The method is a combination of the reaction ensemble Monte Carlo method and the dual control volume grand canonical molecular dynamics technique. The method, termed the dual control cell…
This study investigates the different nanocapsules (NCs) made of poly-epsilon-caprolactone (PCL) containing the lipophilic sunscreen Escalol 557 [octyl methoxycinnamate (OMC)] and analyzes the influence of nanoparticle-based systems on light-induced decomposition of the sunscreen agent. The NCs were designed and prepa…
Within the lattice constants ranging from 3.5 to 4.28 \AA{}, we predict that manganese carbide (MnC) will possess a coexistent phase of periodic magnetic moments contributed by the semiconducting majority spin states and itinerant electrons in the minority spin channel. We analyze the effects of hybridization between…
We present Monte Carlo simulations of diskotic molecules using the Gay-Berne potential in a slab geometry. The disk-wall interaction is described by two different functions according to whether or not the equilibrium distance is dependent on the relative orientation of the disk to the wall. Furthermore, by changing th…
Photoluminescence (PL) from singlet oxygen generated by energy transfer from porous $\mathrm{Si}$ is observed at room temperature in an organic solvent. The evidence of the indirect excitation by energy transfer is obtained from PL excitation spectroscopy. The excitation spectrum indicates that by using porous $\mathr…
In the present research, we investigated the use of paramagnetic liposomes as contrast agents (CAs) for the detection of solid tumors. The liposomes were sterically stabilized by a polyethylene glycol (PEG) coating, and their size was constrained to approximately 100 nm. Dimyristoyl-sn-glycero-3-phosphoethanolamine-N-…
A new technique for detecting the presence and severity of inter-laminar short circuits as well as estimating the status of core compression (or looseness) in laminated magnetic cores of synchronous generators, with a single test equipment is demonstrated in this paper. The core loss measurement obtained from a flux i…
The observed macroscopic anisotropic properties such as the components of infrared (IR) absorbances of liquid crystals are expressed in terms of the order parameters of the long molecular axis, molecular, and phase biaxiality. The order parameters of the organo-siloxane tetrapode liquid crystal of zero dendritic order…
We present the electronic and vibrational spectra of quasi-one-dimensional $\frac{3}{4}$-filled ${(\mathrm{EDO}\text{\ensuremath{-}}\mathrm{TTF})}_{2}X$ ($\mathrm{EDO}\text{\ensuremath{-}}\mathrm{TTF}=\text{ethylenedioxy-tetrathiafulvalene}$, $X={\mathrm{PF}}_{6}$ and ${\mathrm{AsF}}_{6}$) above and below the metal-in…
We present a density functional theory study of colloidal interactions in a concentrated polymer solution. The colloids are modeled as hard spheres and polymers are modeled as freely jointed tangent hard sphere chains. Our theoretical results for the polymer-mediated mean force between two dilute colloids are compared…
Sonoluminescence is the light emission phenomenon from collapsing bubbles in liquid irradiated by an ultrasonic wave. In the present review, theoretical and experimental studies of the two types of sonoluminescence [single‐bubble sonoluminescence (SBSL) and multibubble sonoluminescence (MBSL)] are described. SBSL is a…
Abstract Between composite materials, shape memory alloy (SMA) composites are having a more and more relevant role. Typically, SMA wires are embedded in a metallic or a polymeric matrix to obtain materials with native multi‐functionality and adaptive properties. This work approaches the computational study of the mech…
An efficient algorithm is presented for numerically evaluating a self-consistent field theoretic (SCFT) model of an AB diblock copolymer that incorporates continuous polydispersity in one of the blocks. An interesting segregation effect is found in which chains of intermediate molecular weight are concentrated at doma…
We numerically study a one-dimensional conserved growth equation with competing linear (Ehrlich-Schwoebel) and nonlinear instabilities. As a control parameter is varied, this model exhibits a non-equilibrium phase transition between two mounded states, one of which exhibits slope selection and the other does not. The…
Within the solid-on-solid (SOS) approximation, we carry out a calculation of the orientational dependence of the step stiffness on a square lattice with nearest and next-nearest neighbor interactions. At low temperature our result reduces to a simple, transparent expression. The effect of the strongest trio (three-sit…
The coefficient of normal restitution in an oblique impact is theoretically studied. Using a two-dimensional lattice models for an elastic disk and an elastic wall, we demonstrate that the coefficient of normal restitution can exceed one and has a peak against the incident angle in our simulation. Finally, we explain…
We study a binary Lennard-Jones system below the glass transition with molecular dynamics simulations. To investigate the dynamics we focus on events (jumps) where a particle escapes the cage formed by its neighbors. Using single particle trajectories we define a jump by comparing for each particle its fluctuations wi…
We report on a detailed, temperature-dependent, off-resonant Raman scattering study of glassy and supercooled selenium. Raman spectra in the frequency regime of the first-order scattering (5-450 cm(-1)) have been recorded over a wide temperature range, i.e., 143-353 K. To facilitate the analysis, the spectra have intu…
Dynamics is studied of an electron in a quasi-one-dimensional ballistic ring under circularly polarized electromagnetic field propagating along the normal to the ring plane. The average emission intensity from the ring is calculated. The value and direction of the electron average angular velocity in the ring depend o…