Dynamic Structure Factor of Sponge Phases

We predict the dynamic light scattering intensity S(q,t) for the L3 phase (anomalous isotropic phase) of dilute surfactant solutions. Our results are based on a Landau-Ginzburg approach, which was previously used to explain the observed static structure factor S(q, 0). In the extreme limit of small q, we find a monoexponential decay with marginal or irrelevant hydrodynamic interactions. In most other regimes the decay of S(q,t) is strongly nonexponential; in one case, it is purely algebraic at long times.

Dynamic structure factor across the liquid-solid interface: appearance of a delta-function elastic peak

We present a theoretical calculation of the dynamic structure factor, S(k, ω), at the liquid-solid interface for large values of the wavevector k. An analytic expression is derived which shows the evolution of the elastic peak as the solid surface is approached from the liquid side.

The Impact of CAP Reforms on Farm Labour Structure. Factor Markets Working Document No. 63, August 2013

The labour force engaged in the agricultural sector is declining over time, and one can observe the reallocation of labour from family members to hired workers. Using farm-level data, this paper analyses the on-farm labour structure in Greece and assesses the factors driving its evolution over the period 1990-2008. The impact of agricultural policies and farm characteristics is examined in a dynamic panel analysis. Family and hired labour are found to be substitutes rather than complements, while agricultural support measures appear to negatively affect demand for both family and hired labour. Decoupled payments and subsidies on crops are found to have a significant impact on both sources of labour, as well as subsidies for rural development that do not favour on-farm labour use. The paper also finds that structural labour adjustments are the result of farm characteristics, such as farm size and location. The results are robust to various estimation techniques and specifications.

Non-Linear effects of membrane fluctuations in the dilute lamellar phase

The static structure factor of the dilute sterically stabilised lamellar phase is calculated and found to have an Ornstein-Zernike form with a correlation length that diverges at infinite dilution. The relaxation time for concentration fluctuations at large wave number q is shown to go as q-3 with a coefficient independent of the membrane bending rigidity. The membrane fluctuations also give rise to strongly frequency-dependent viscosities at high frequencies.

Density-matrix renormalization-group studies of the spin-1/2 Heisenberg system with dimerization and frustration

Using the density-matrix renormalization-group technique, we study the ground-state phase diagram and other low-energy properties of an isotropic antiferromagnetic spin-1/2 chain with both dimerization and frustration, i.e., an alternation delta of the nearest-neighbor exchanges and a next-nearest-neighbor exchange J(2). For delta = 0, the system is gapless for J(2) < J(2c) and has a gap for J(2) > J(2c) where J(2c) is about 0.241. For J(2) = J(2c) the gap above the ground state grows as delta to the power 0.667 +/- 0.001. In the J(2)-delta plane, there is a disorder line 2J(2) + delta = 1. To the left of this line, the peak in the static structure factor S(q) is at q(max) = pi (Neel phase), while to the right of the line, q(max) decreases from pi to pi/2 as J(2) is increased to large values (spiral phase). For delta = 1, the system is equivalent to two coupled chains as on a ladder and it is gapped for all values of the interchain coupling.

Diffusing wave spectroscopy of dense colloids: Liquid, crystal and glassy states

Using intensity autocorrelation of multiply scattered light, we show that the increase in interparticle interaction in dense, binary colloidal fluid mixtures of particle diameters 0.115µm and 0.089µm results in freezing into a crystalline phase at volume fraction? of 0.1 and into a glassy state at?=0.2. The functional form of the field autocorrelation functiong (1)(t) for the binary fluid phase is fitted to exp[??(6k 0 2 D eff t)1/2] wherek 0 is the magnitude of the incident light wavevector and? is a parameter inversely proportional to the photon transport mean free pathl*. TheD eff is thel* weighted average of the individual diffusion coefficients of the pure species. Thel* used in calculatingD eff was computed using the Mie theory. In the solid (crystal or glass) phase, theg (1)(t) is fitted (only with a moderate success) to exp[??(6k 0 2 W(t))1/2] where the mean-squared displacementW(t) is evaluated for a harmonically bound overdamped Brownian oscillator. It is found that the fitted parameter? for both the binary and monodisperse suspensions decreases significantly with the increase of interparticle interactions. This has been justified by showing that the calculated values ofl* in a monodisperse suspension using Mie theory increase very significantly with the interactions incorporated inl* via the static structure factor.

Model exact low-lying states and spin dynamics in ferric wheels: Fe-6 to Fe-12

Using an efficient numerical scheme that exploits spatial symmetries and spin parity, we have obtained the exact low-lying eigenstates of exchange Hamiltonians for ferric wheels up to Fe-12. The largest calculation involves the Fe-12 ring which spans a Hilbert space dimension of about 145x10(6) for the M-S=0 subspace. Our calculated gaps from the singlet ground state to the excited triplet state agree well with the experimentally measured values. Study of the static structure factor shows that the ground state is spontaneously dimerized for ferric wheels. The spin states of ferric wheels can be viewed as quantized states of a rigid rotor with the gap between the ground and first excited states defining the inverse of the moment of inertia. We have studied the quantum dynamics of Fe-10 as a representative of ferric wheels. We use the low-lying states of Fe-10 to solve exactly the time-dependent Schrodinger equation and find the magnetization of the molecule in the presence of an alternating magnetic field at zero temperature. We observe a nontrivial oscillation of the magnetization which is dependent on the amplitude of the ac field. We have also studied the torque response of Fe-12 as a function of a magnetic field, which clearly shows spin-state crossover.

双晶晶界在高温下的热稳定性的分子动力学研究

晶界结构在高温下的热稳定性问题是一个长期争论而又未能解决的问题，其争论的焦点是：在远低于熔点的温度下，晶界结构是否发生了可观察到的无序化，即是否存在一个远低于熔点的结构转化温度。为了能澄清这一争论，本文系统地研究了晶界结构的热稳定性。为了消除相互作用势的影响和系统误差，本文首先采用Morse势和经验多体势分别对铝、铜单晶的熔化过程进行了分子动力学模拟。在平衡态下，通过计算表征结构无序化的静态结构因子、径向分布函数和单晶原子位形图，获得了铝、铜单晶的熔点，结果表明：多体势计算的铝和铜的单晶熔点更接近实验值。因此，采用经验多体势应用分子动力学方法分别模拟了铝、铜Σ3、Σ5、Σ9、Σ11、Σ19、Σ33六种对称倾侧双晶晶界晶界结构由有序向无序转化的过程，计算了平衡态下的表征结构无序化的静态结构因子、径向分布函数和晶界原子位形图并将多体势获得的铝、铜单晶熔点作为晶界结构转化温度的约化熔点，获得了铝、铜Σ3、Σ5、Σ9、Σ11、Σ19、Σ33六种对称倾侧双晶晶界结构的转化温度和熔点，结果表明：1．Σ5、Σ9、Σ11、Σ19、Σ33五种对称倾侧双晶晶界均在远低于单晶熔点温度时，晶界结构发生了可观察到的无序化，而且双晶晶界结构的转变温度相差不大，双晶晶界熔点也低于单晶熔点。2．Σ3晶界在温度远低于熔点时，其晶界结构没有发生可观察到的无序化；Σ3晶界的转化温度与单晶熔点接近。所以，可以认为Σ3晶界不存在转化温度。这是由于Σ3晶界为共格孪晶，具有较低的能量。综上所述，除Σ3共格孪晶外，在远低于熔点温度下，晶界结构发生了可观察到的无序化，即：存在一个远低于熔点的转化温度，此时其静态结构因子约为0.5左右；晶界结构的熔点均低于单晶熔点，此时其静态结构因子约为0.15左右。从全文模拟结果可以看出，静态结构因子、径向分布函数、晶界原子位形图三种方法在确定晶界的结构转化温度和熔点时，静态结构因子是最有效、最准确的定量方法。

Collective dynamics of glass-forming polymers at intermediate length scales: a synergetic combination of neutron scattering, atomistic simulations and theoretical modelling

Qens/wins 2014 - 11th International Conference on Quasielastic Neutron Scattering and 6th International Workshop on Inelastic Neutron Spectrometers / editado por:Frick, B; Koza, MM; Boehm, M; Mutka, H

Evidence of Short-Range Screening in Shock-Compressed Aluminum Plasma

We have investigated the angular variation in elastic x-ray scattering from a dense, laser-shock-compressed aluminum foil. A comparison of the experiment with simulations using an embedded atom potential in a molecular dynamics simulation shows a significantly better agreement than simulations based on an unscreened one-component plasma model. These data illustrate, experimentally, the importance of screening for the dense plasma static structure factor.

Thermal and quantum fluctuations in chains of ultracold polar molecules

Ultracold polar molecules, in highly anisotropic traps and interacting via a repulsive dipolar potential, may form one-dimensional chains at high densities. According to classical theory, at low temperatures there exists a critical value of the density at which a second-order phase transition from a linear to a zigzag chain occurs. We study the effect of thermal and quantum fluctuations on these self-organized structures using classical and quantum Monte Carlo methods, by means of which we evaluate the pair correlation function and the static structure factor. Depending on the parameters, these functions exhibit properties typical of a crystalline or of a liquid system. We compare the thermal and the quantum results, identifying analogies and differences. Finally, we discuss experimental parameter regimes where the effects of quantum fluctuations on the linear-zigzag transition can be observed.

Einfluß der internen Architektur von Polymermikronetzwerken auf Struktur und Dynamik konzentrierter Kolloid-Dispersionen

Einfluß der internen Architektur von Polymermikronetzwerken auf Struktur und Dynamik konzentrierter Kolloid-Dispersionen Kugelförmige Polymermikronetzwerk-Kolloide gehören zur Klasse der sogenannten Mikrogele. Dabei handelt es sich um kolloidale Modellsysteme, die durch ihre interne Vernetzungsdichte charakterisiert werden.In dieser Arbeit sollte untersucht werden, ob sich die Wechselwirkungen zwischen den Mikrogel-Kolloiden über ein repulsives Potential der Form U(r) = 1/rn beschreiben lassen und ob der Poten-tialexponent n von der Vernetzungsdichte abhängt. Dazu wurden vor allem die innere Architektur, das Phasenverhalten und der statische Strukturfaktor 1:10, 1:50, 1:72 und 1:100 vernetzter Polymer-Mikronetzwerk-Kolloide bis in den Bereich hochkonzentrierter Dispersionen mit den Mitteln der Kleinwinkelneutronenstreuung, der Digitalphotographie und der statischen Lichtstreuung untersucht. Polymeranalytische Untersuchungen ergaben einen bei der Synthese anfallenden Anteil von unver-netztem, freiem Polymer innerhalb der Mikronetzwerke, welcher sich beim Lösen aus den Netzwerken herausbewegte. Das freie Polymer spielte vor allem beim Phasenverhalten der untersuchten Teilchen eine große Rolle und verursachte bei den Untersuchungen der statischen Strukturfaktoren Abweichun-gen vom 'harte Kugel'-Verhalten. Als Ergebnis der Kleinwinkel-Neutronenstreuung konnte eine ab-nehmende Verteilungsdichte der Vernetzer innerhalb der Polymermikronetzwerke in Richtung der -Teilchenoberfläche nachgewiesen werden. Die damit verbundene Konformationsfreiheit der Polymer-segmente auf der Teilchenoberfläche (bis hin zu 'mushroom'-Strukturen) wurde als Grund dafür an-gesehen, daß sich die Resultate der untersuchten Mikrogele aller Vernetzungsdichten im wesentlichen auf 'harte Kugeln' skalieren lassen.

Intrinsic compressibility and volume compression in solvated proteins by molecular dynamics simulation at high pressure.

Constant pressure and temperature molecular dynamics techniques have been employed to investigate the changes in structure and volumes of two globular proteins, superoxide dismutase and lysozyme, under pressure. Compression (the relative changes in the proteins' volumes), computed with the Voronoi technique, is closely related with the so-called protein intrinsic compressibility, estimated by sound velocity measurements. In particular, compression computed with Voronoi volumes predicts, in agreement with experimental estimates, a negative bound water contribution to the apparent protein compression. While the use of van der Waals and molecular volumes underestimates the intrinsic compressibilities of proteins, Voronoi volumes produce results closer to experimental estimates. Remarkably, for two globular proteins of very different secondary structures, we compute identical (within statistical error) protein intrinsic compressions, as predicted by recent experimental studies. Changes in the protein interatomic distances under compression are also investigated. It is found that, on average, short distances compress less than longer ones. This nonuniform contraction underlines the peculiar nature of the structural changes due to pressure in contrast with temperature effects, which instead produce spatially uniform changes in proteins. The structural effects observed in the simulations at high pressure can explain protein compressibility measurements carried out by fluorimetric and hole burning techniques. Finally, the calculation of the proteins static structure factor shows significant shifts in the peaks at short wavenumber as pressure changes. These effects might provide an alternative way to obtain information concerning compressibilities of selected protein regions.