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This work proposes a general MPP theory that not only contains the classical Maa's theory for circular MPP, but also accounts for the MPP with petal-shaped perforations.For languages that primarily exploit F0 to signal tonal contrast, the role of phonation cues in tonal perception remains controversial. selleck chemical This study revisits the use of F0 and phonation cues in Cantonese low tone perception (tone 4, 21/tone 6, 22) using synthesized stimuli. In line with previous studies, F0 contour and height were found to be the most salient cues, with F0 height being more important. The effects of non-modal phonation (creaky and breathy voice) were relatively small. Non-modal phonation enhanced low tone perception only in the low F0 range. The results are consistent with the differential integration hypothesis that the perceptual role of phonation is dependent on F0 and that phonation cues integrate with F0 differently depending on F0 height.Time-harmonic waves propagate along a cylindrical waveguide in which there is an obstacle. The problem is to calculate the reflection and transmission coefficients. Simple explicit approximations are found assuming that the waves are long compared to the diameter of the cross-section d. Simpler but useful approximations are found when the lateral dimensions of the obstacle are small compared to d. Results for spheres, discs, and spheroids are given.We have implemented the Martini force field within Lawrence Livermore National Laboratory's molecular dynamics program, ddcMD. The program is extended to a heterogeneous programming model so that it can exploit graphics processing unit (GPU) accelerators. In addition to the Martini force field being ported to the GPU, the entire integration step, including thermostat, barostat, and constraint solver, is ported as well, which speeds up the simulations to 278-fold using one GPU vs one central processing unit (CPU) core. A benchmark study is performed with several test cases, comparing ddcMD and GROMACS Martini simulations. The average performance of ddcMD for a protein-lipid simulation system of 136k particles achieves 1.04 µs/day on one NVIDIA V100 GPU and aggregates 6.19 µs/day on one Summit node with six GPUs. The GPU implementation in ddcMD offloads all computations to the GPU and only requires one CPU core per simulation to manage the inputs and outputs, freeing up remaining CPU resources on the compute node for alternative tasks often required in complex simulation campaigns. The ddcMD code has been made open source and is available on GitHub at https//github.com/LLNL/ddcMD.We investigate the interplay of reactive interference and crowding effects in the irreversible diffusion-influenced bimolecular reactions of the type A+B→P+B by using the Brownian dynamics simulation method. It is known that the presence of nonreactive crowding agents retards the reaction rate when the volume fraction of the crowding agents is large enough. On the other hand, a high concentration of B is known to increase the reaction rate more than expected from the mass action law, although the B's may also act as crowders. Therefore, it would be interesting to see which effect dominates when the number density of B as well as the number density of the crowders increases. We will present an approximate theory that provides a reasonable account for the Brownian dynamics simulation results.This work proposes perturbation approaches for describing dipolar fluids as well as model and aqueous electrolyte solutions. The electrostatic pair potentials are split into short- and long-ranged contributions, whereas a third order perturbation expansion is applied for the short-ranged potentials. This circumvents the problem of divergent correlation integrals. The dipolar perturbation terms are represented through a [2,1]-Padé approximation to resum the poorly convergent series. For the remaining charge-charge and charge-dipole contributions, we present a new approximant, which provides a (quasi)linear dependence of the Helmholtz energy. The underlying correlation integrals are adjusted to results from molecular simulations. The long-ranged contribution to the electrostatic interactions is treated through an analytic expression developed by Rodgers and Weeks [J. Chem. Phys. 131, 244108 (2010)]. Theoretical predictions of our perturbation theory are compared to results from a widely used integral equation theory, namely, the mean spherical approximation, and we find that our perturbation theory provides much more accurate results. Furthermore, the theory shows some quantities in rather good agreement with reference data, namely, Helmholtz energies, internal energies, and densities at higher densities of solutions. Limitations of the approach, however, are observed for several other partial molar quantities, such as the mean activity coefficient.Via computer simulations, we study kinetics of pattern formation in a two-dimensional active matter system. Self-propulsion in our model is incorporated via the Vicsek-like activity, i.e., particles have the tendency of aligning their velocities with the average directions of motion of their neighbors. In addition to this dynamic or active interaction, there exists passive inter-particle interaction in the model for which we have chosen the standard Lennard-Jones form. Following quenches of homogeneous configurations to a point deep inside the region of coexistence between high and low density phases, as the systems exhibit formation and evolution of particle-rich clusters, we investigate properties related to the morphology, growth, and aging. A focus of our study is on the understanding of the effects of structure on growth and aging. To quantify the latter, we use the two-time order-parameter autocorrelation function. This correlation, as well as the growth, is observed to follow power-law time dependence, qualitatively similar to the scaling behavior reported for passive systems. The values of the exponents have been estimated and discussed by comparing with the previously obtained numbers for other dimensions as well as with the new results for the passive limit of the considered model. We have also presented results on the effects of temperature on the activity mediated phase separation.