Search results for "GLASS"
showing 10 items of 1153 documents
Surface-induced order and diffusion in 5CB liquid crystal confined to porous glass.
2001
Liquid crystals confined into small cavities are known to have a weak orientational order even above the nematic-isotropic transition temperature. The surface-induced order and molecular dynamics in this temperature range are studied with the aid of deuteron NMR spectra, spin relaxation times T(1) and T(2,) proton dipolar-correlation effect, and direct measurements of the effective diffusion coefficient for the liquid crystal 5CB confined to controlled-pore glasses. Our results show that an arrangement of molecules parallel to the wall is induced by local molecular interactions between the liquid crystal and solid, resulting in a weak and temperature independent surface order parameter, S(0…
ChemInform Abstract: Specific Heat of Amorphous Silica within the Harmonic Approximation.
2010
We investigate to what extent the specific heat of amorphous silica can be calculated within the harmonic approximation. For this we use molecular dynamics computer simulations to calculate, for a simple silica model (the BKS potential), the velocity autocorrelation function and hence an effective density of states g(ν). We find that the harmonic approximation is valid for temperatures below 300 K but starts to break down at higher temperatures. We show that, to obtain a reliable description of the low-frequency part of g(ν), i.e., where the boson peak is observed, it is essential to use large systems for the simulations and small cooling rates to quench the samples. We find that the calcul…
Single Particle Jumps in a Binary Lennard-Jones Glass
2002
ABSTRACTWe study a binary Lennard-Jones mixture below the glass transition with molecular dynamics (MD) simulations. To investigate the dynamics of the system we define single particle jumps via their single particle trajectories. We find two kinds of jumps: metastable jumps, where a particle jumps back and forth between two or more states, and real jumps, where a particle does not return to any of its former states. For both the real and metastable jumps we present as a function of temperature the number of jumps, jump size, time between jumps, and energy.
Specific Heat of Amorphous Silica within the Harmonic Approximation
1999
We investigate to what extent the specific heat of amorphous silica can be calculated within the harmonic approximation. For this we use molecular dynamics computer simulations to calculate, for a simple silica model (the BKS potential), the velocity autocorrelation function and hence an effective density of states g(ν). We find that the harmonic approximation is valid for temperatures below 300 K but starts to break down at higher temperatures. We show that, to obtain a reliable description of the low-frequency part of g(ν), i.e., where the boson peak is observed, it is essential to use large systems for the simulations and small cooling rates to quench the samples. We find that the calcul…
Dynamics of a Supercooled Lennard-Jones System: Qualitative and Quantitative Tests of Mode-Coupling Theory
1996
We present the results of a molecular dynamics computer simulation of a supercooled binary Lennard-Jones mixture. By investigating the temperature dependence of the diffusion constant and of the intermediate scattering function, we show that the ideal version of the mode-coupling theory of the glass transition is able to give a good qualitative description of the dynamics of this system. Using the partial structure factors, as determined from the simulation, as input, we solve the mode-coupling equations in the long time limit. From the comparison of the prediction of the theory for the critical temperature, the exponent parameter, the wave-vector dependence of the nonergodicity parameters …
Glass transition in 1,4-polybutadiene: Mode-coupling theory analysis of molecular dynamics simulations using a chemically realistic model.
2006
We present molecular dynamics simulations of the glass transition in a chemically realistic model of 1,4-polybutadiene (PBD). Around 40 K above the calorimetric glass transition of this polymer the simulations reveal a well-developed two-stage relaxation of all correlation functions. We have analyzed the time-scale separation between vibrational degrees of freedom (subpicosecond dynamics) and the alpha relaxation behavior (nanosecond to microsecond dynamics) using the predictions of mode-coupling theory (MCT). Our value for the mode-coupling critical temperature Tc agrees perfectly with prior experimental estimates for PBD. The predictions of MCT for the scaling behavior of the so-called be…
Influence of chain length on the molecular dynamics of an aliphatic ionene
1998
An aliphatic random copolymer ionene (a cationic polyelectrolyte with N + in the repeat unit), was fractionated with the continuous polymer fractionation and investigated for its molecular weight dependent properties. The fractions were analyzed with GPC and capillary viscometry for their molecular weight. Glass transition temperatures were determined with DSC and a strong molecular weight dependence was observed, but no influence in the ionic conductivity was observed. The temperature dependency of ionic conductivity in ionenes is described.
Superfluid density and quasi-long-range order in the one-dimensional disordered Bose–Hubbard model
2015
We study the equilibrium properties of the one-dimensional disordered Bose-Hubbard model by means of a gauge-adaptive tree tensor network variational method suitable for systems with periodic boundary conditions. We compute the superfluid stiffness and superfluid correlations close to the superfluid to glass transition line, obtaining accurate locations of the critical points. By studying the statistics of the exponent of the power-law decay of the correlation, we determine the boundary between the superfluid region and the Bose glass phase in the regime of strong disorder and in the weakly interacting region, not explored numerically before. In the former case our simulations are in agreem…
Influence of resin viscosity and vacuum level on mechanical performance of sandwich structures manufactured by vacuum bagging
2010
The choice of process parameters is critical in optimizing the mechanical properties of sandwich structures produced using the vacuum bagging technique. The aim of this paper is to analyze how the viscosity of the resin/curing agent system and the vacuum level influence the morphology and the mechanical behavior of sandwich beams with composite faces (epoxy resin and glass fiber fabric named COMBI 900) and a PVC foam core. Four different sandwich structures were produced by varying the viscosity of the epoxy resin/curing agent at constant maximum vacuum pressure. Three further structures were manufactured by varying the strength of the vacuum with the resin viscosity maintained constant at …
Micro‐tomographic characterization of composite recycled glass‐silicone foams for applications in civil engineering
2019
Noninvasive X‐ray micro‐computed tomography was applied for a complete quantitative and qualitative analysis of the cellular structure of composite foams constituted by a silicone matrix and a glass production waste filler. Composite foams with different glass filler weight content in the range 0–80% were synthesized and characterized. The tomographic analysis was employed in order to assess the structural heterogeneities, void fraction values, and bubble size distribution for all composite foams. The 3D micro‐CT images analysis, performed at different cross‐sections, highlighted heterogeneous cell growth or more elongated cells in the case of low and high filler content foams, respectively…