Search results for "Structure factor"
showing 10 items of 95 documents
Dynamical scaling of surface growth in simple lattice models
2003
We present extensive simulations of the atomistic Edwards-Wilkinson (EW) and Restricted Edwards-Wilkinson (REW) models in 2+1 dimensions. Dynamic finite-size scaling analyses of the interfacial width and structure factor provide the estimates for the dynamic exponent z=1.65+/-0.05 for the EW model and z=2.0+/-0.1 for the REW model. The stochastic contribution to the interface velocity U due to the deposition and diffusion of particles is characterized for both the models using a blocking procedure. For the EW model the time-displaced temporal correlations in U show nonexponential decay, while the temporal correlations decay exponentially for the REW model. Dynamical scaling of the temporal …
Single chain structure in thin polymer films: Corrections to Flory's and Silberberg's hypotheses
2005
Conformational properties of polymer melts confined between two hard structureless walls are investigated by Monte Carlo simulation of the bond-fluctuation model. Parallel and perpendicular components of chain extension, bond-bond correlation function and structure factor are computed and compared with recent theoretical approaches attempting to go beyond Flory's and Silberberg's hypotheses. We demonstrate that for ultrathin films where the thickness, $H$, is smaller than the excluded volume screening length (blob size), $\xi$, the chain size parallel to the walls diverges logarithmically, $R^2/2N \approx b^2 + c \log(N)$ with $c \sim 1/H$. The corresponding bond-bond correlation function d…
Unusual finite size effects in the Monte Carlo simulation of microphase formation of block copolymer melts
1995
Extensive Monte Carlo simulations are presented for the Fried-Binder model of block copolymer melts, where polymer chains are represented as self and mutually avoiding walks on a simple cubic lattice, and monomer units of different kind (A, B) repel each other if they are nearest neighbors (e AB > O). Choosing a chain length N = 20, vacancy concentration Φ v = 0,2, composition f = 3/4, and a L × L × L geometry with periodic boundary conditions and 8 ≤ L ≤ 32, finite size effects on the collective structure factor S(q) and the gyration radii are investigated. It is shown that already above the microphase separation transition, namely when the correlation length ζ(T) of concentration fluctuat…
An Improved Empirical Relation to Determine the Particle Number Density of Fluid-Like Ordered Charge-Stabilized Suspensions
2001
Polystyrene as an archetypal charge-stabilized colloid model system was used in this work under well defined preparation conditions. A continuous preparation technique was used to control the suspension parameters salt concentration c and particle number density n. Measurements of n were performed using both conductivity in the completely deionized state and static light scattering. We found a significant deviation between the position of the first maximum of the static structure factor qmax=2π/L and an estimate identifying the relevant length scale L with the average inter-particle distance d¯=n−1/3. Instead, qmax was observed to follow the relation qmax=(2.20±0.03)π/d¯, which is equivalen…
Static Properties of a Simulated Supercooled Polymer Melt: Structure Factors, Monomer Distributions Relative to the Center of Mass, and Triple Correl…
2004
We analyze structural and conformational properties in a simulated bead-spring model of a non-entangled, supercooled polymer melt. We explore the statics of the model via various structure factors, involving not only the monomers, but also the center of mass (CM). We find that the conformation of the chains and the CM-CM structure factor, which is well described by a recently proposed approximation [Krakoviack et al., Europhys. Lett. 58, 53 (2002)], remain essentially unchanged on cooling toward the critical glass transition temperature of mode-coupling theory. Spatial correlations between monomers on different chains, however, depend on temperature, albeit smoothly. This implies that the g…
Chain Motion in an Unentangled Polyethylene Melt: A Critical Test of the Rouse Model by Molecular Dynamics Simulations and Neutron Spin Echo Spectros…
1998
We have investigated the dynamic structure factor for single-chain relaxation in a polyethylene melt by means of molecular dynamics simulations and neutron spin echo spectroscopy. After accounting for a 20% difference in the chain self-diffusion coefficient between simulation and experiment we find a perfect quantitative agreement of the intermediate dynamic structure factor over the whole range of momentum transfer studied. Based on this quantitative agreement one can test the experimental results for deviations from standard Rouse behavior reported so far for only computer simulations of polymer melt dynamics.
Elastic and quasielastic neutron scattering studies in KBr:KCN mixed crystals
1989
Neutron scattering studies in (KBr)1–x(KCN)x mixed crystals are presented utilizing powder diffraction, single crystal diffraction and time-of-flight techniques. Forx>0.6 (KBr)1–x(KCN)x crystals exhibit ferroelastic and ferroelectric low-temperature phases. Crystals withx<0.6 undergo transitions into an orientational glass state. Here we present a detailed phase diagram including new results for x=0.85 and x=0.65. For the latter system a stable rhombohedral low-temperature phase has been detected where the orientational disorder of the plastic phase is only partly removed and quadrupolar relaxations between three body diagonals are still possible. From the powder diffraction experimen…
Neutron scattering study of melting ofHe3surface layers
1982
The melting of the incommensurate phase of $^{3}\mathrm{He}$ submonolayers adsorbed on Grafoil was investigated by elastic neutron scattering. The temperature dependence of the nearest-neighbor distance, the coherence length, and the peak intensity of the structure factor can be explained by a simple model assuming a melting transition which is driven by thermally created lattice defects.
Colloids as model systems for liquid undercooled metals
2009
Physical review / E 79(1), 4 (2009). doi:10.1103/PhysRevE.79.010501
Fast Local Motion around T g in a Molecular Glass as Observed by Incoherent Neutron Scattering
1987
Incoherent quasi-elastic neutron scattering experiments on a molecular glass (1,3,5-tri-α-naphtylbenzene, C36H24) are reported. We find clear evidence for an anomalously strong decrease of the elastic and a corresponding increase of the inelastic scattering around the glass transition temperature. The line shape of this extra inelastic intensity gives evidence for a quasi-elastic scattering implying the existence of a localized and fast (τc ≈ 4.10-12s) molecular motion. From the elastic incoherent structure factor (EISF) a mean jump length ≤ 0.6 A is estimated. The significance of this motion as precursor of the glass instability is discussed within the framework of dynamic glass transition…