An atomistic-continuum hybrid simulation of fluid flows over superhydrophobic surfaces

Recent experiments have found that slip length could be as large as on the order of 1 mu m for fluid flows over superhydrophobic surfaces. Superhydrophobic surfaces can be achieved by patterning roughness on hydrophobic surfaces. In the present paper an atomistic-continuum hybrid approach is developed to simulate the Couette flows over superhydrophobic surfaces in which a molecular dynamics simulation is used in a small region near the superhydrophobic surface where the continuum assumption is not valid and the Navier-Stokes equations are used in a large region for bulk flows where the continuum assumption does hold. These two descriptions are coupled using the dynamic coupling model in the overlap region to ensure momentum continuity. The hybrid simulation predicts a superhydrophobic state with large slip lengths which cannot be obtained by molecular dynamics simulation alone.

Dimensionless Analysis of the Simulation of Bucket Foundations under Dynamic Load

Firstly, the main factors are obtained by use of dimensionless analysis. Secondly, the time scaling factors in centrifuge modeling of bucket foundations under dynamic load are analyzed based on dimensionless analysis and control- ling equation. A simplified method for dealing with the conflict of scaling factors of the inertial and the percolation in sand foundation is presented. The presented method is that the material for experiments is not changed while the effects are modified by perturbation method. Thirdly, the characteristic time of liquefaction state and the characteristic scale of affected zone are analyzed.

Strength of tantalum at high pressures through Richtmyer-Meshkov laser compression experiments and simulations

Strength at extreme pressures (>1 Mbar or 100 GPa) and high strain rates (106-108 s-1) of materials is not well characterized. The goal of the research outlined in this thesis is to study the strength of tantalum (Ta) at these conditions. The Omega Laser in the Laboratory for Laser Energetics in Rochester, New York is used to create such extreme conditions. Targets are designed with ripples or waves on the surface, and these samples are subjected to high pressures using Omega’s high energy laser beams. In these experiments, the observational parameter is the Richtmyer-Meshkov (RM) instability in the form of ripple growth on single-mode ripples. The experimental platform used for these experiments is the “ride-along” laser compression recovery experiments, which provide a way to recover the specimens having been subjected to high pressures. Six different experiments are performed on the Omega laser using single-mode tantalum targets at different laser energies. The energy indicates the amount of laser energy that impinges the target. For each target, values for growth factor are obtained by comparing the profile of ripples before and after the experiment. With increasing energy, the growth factor increased.

Engineering simulations are used to interpret and correlate the measurements of growth factor to a measure of strength. In order to validate the engineering constitutive model for tantalum, a series of simulations are performed using the code Eureka, based on the Optimal Transportation Meshfree (OTM) method. Two different configurations are studied in the simulations: RM instabilities in single and multimode ripples. Six different simulations are performed for the single ripple configuration of the RM instability experiment, with drives corresponding to laser energies used in the experiments. Each successive simulation is performed at higher drive energy, and it is observed that with increasing energy, the growth factor increases. Overall, there is favorable agreement between the data from the simulations and the experiments. The peak growth factors from the simulations and the experiments are within 10% agreement. For the multimode simulations, the goal is to assist in the design of the laser driven experiments using the Omega laser. A series of three-mode and four-mode patterns are simulated at various energies and the resulting growth of the RM instability is computed. Based on the results of the simulations, a configuration is selected for the multimode experiments. These simulations also serve as validation for the constitutive model and the material parameters for tantalum that are used in the simulations.

By designing samples with initial perturbations in the form of single-mode and multimode ripples and subjecting these samples to high pressures, the Richtmyer-Meshkov instability is investigated in both laser compression experiments and simulations. By correlating the growth of these ripples to measures of strength, a better understanding of the strength of tantalum at high pressures is achieved.

Simulation of shock-induced bubble collapse with application to vascular injury in shockwave lithotripsy

Shockwave lithotripsy is a noninvasive medical procedure wherein shockwaves are repeatedly focused at the location of kidney stones in order to pulverize them. Stone comminution is thought to be the product of two mechanisms: the propagation of stress waves within the stone and cavitation erosion. However, the latter mechanism has also been implicated in vascular injury. In the present work, shock-induced bubble collapse is studied in order to understand the role that it might play in inducing vascular injury. A high-order accurate, shock- and interface-capturing numerical scheme is developed to simulate the three-dimensional collapse of the bubble in both the free-field and inside a vessel phantom. The primary contributions of the numerical study are the characterization of the shock-bubble and shock-bubble-vessel interactions across a large parameter space that includes clinical shockwave lithotripsy pressure amplitudes, problem geometry and tissue viscoelasticity, and the subsequent correlation of these interactions to vascular injury. Specifically, measurements of the vessel wall pressures and displacements, as well as the finite strains in the fluid surrounding the bubble, are utilized with available experiments in tissue to evaluate damage potential. Estimates are made of the smallest injurious bubbles in the microvasculature during both the collapse and jetting phases of the bubble's life cycle. The present results suggest that bubbles larger than 1 μm in diameter could rupture blood vessels under clinical SWL conditions.

Effects of the user model on simulation-based learning of dialogue strategies

Over the past decade, a variety of user models have been proposed for user simulation-based reinforcement-learning of dialogue strategies. However, the strategies learned with these models are rarely evaluated in actual user trials and it remains unclear how the choice of user model affects the quality of the learned strategy. In particular, the degree to which strategies learned with a user model generalise to real user populations has not be investigated. This paper presents a series of experiments that qualitatively and quantitatively examine the effect of the user model on the learned strategy. Our results show that the performance and characteristics of the strategy are in fact highly dependent on the user model. Furthermore, a policy trained with a poor user model may appear to perform well when tested with the same model, but fail when tested with a more sophisticated user model. This raises significant doubts about the current practice of learning and evaluating strategies with the same user model. The paper further investigates a new technique for testing and comparing strategies directly on real human-machine dialogues, thereby avoiding any evaluation bias introduced by the user model. © 2005 IEEE.

The computer simulation of primate (Macaca mulatta) spatial visual delayed response and cerebral prefrontal control function

Cerebral prefrontal function is one of the important aspects in neurobiology. Based on the experimental results of neuroanatomy, neurophysiology, behavioral sciences, and the principles of cybernetics and information theory after constructed a simple model simulating prefrontal control function, this paper simulated the behavior of Macaca mulatta completing delayed tasks both before and after its cerebral prefrontal cortex being damaged. The results indicated that there is an obvious difference in the capacity of completing delayed response tasks for the normal monkeys and those of prefrontal cortex cut away. The results are agreement with experiments. The authors suggest that the factors of affecting complete delayed response tasks might be in information keeping and extracting of memory including information storing, keeping and extracting procedures rather than in information storing process.

Statistical user simulation with a hidden agenda

Recent work in the area of probabilistic user simulation for training statistical dialogue managers has investigated a new agenda-based user model and presented preliminary experiments with a handcrafted model parameter set. Training the model on dialogue data is an important next step, but non-trivial since the user agenda states are not observable in data and the space of possible states and state transitions is intractably large. This paper presents a summary-space mapping which greatly reduces the number of state transitions and introduces a tree-based method for representing the space of possible agenda state sequences. Treating the user agenda as a hidden variable, the forward/backward algorithm can then be successfully applied to iteratively estimate the model parameters on dialogue data. © 2007 Association for Computational Linguistics.

Exploring consensus mRNA secondary (folding) structure units by stochastic sampling and folding simulation

It is extremely difficult to explore mRNA folding structure by biological experiments. In this report, we use stochastic sampling and folding simulation to test the existence of the stable secondary structural units of-mRNA, look for the folding units, and explore the probabilistic stabilization of the units. Using this method, We made simulations for all possible local optimum secondary structures of a single strand mRNA within a certain range, and searched for the common parts of the secondary structures. The consensus secondary structure units (CSSUs) extracted from the above method are mainly hairpins, with a few single strands. These CSSUs suggest that the mRNA folding units could be relatively stable and could perform specific biological function. The significance of these observations for the mRNA folding problem in general is also discussed. (c) 2004 Elsevier B.V. All rights reserved.

N-best error simulation for training spoken dialogue systems

A recent trend in spoken dialogue research is the use of reinforcement learning to train dialogue systems in a simulated environment. Past researchers have shown that the types of errors that are simulated can have a significant effect on simulated dialogue performance. Since modern systems typically receive an N-best list of possible user utterances, it is important to be able to simulate a full N-best list of hypotheses. This paper presents a new method for simulating such errors based on logistic regression, as well as a new method for simulating the structure of N-best lists of semantics and their probabilities, based on the Dirichlet distribution. Off-line evaluations show that the new Dirichlet model results in a much closer match to the receiver operating characteristics (ROC) of the live data. Experiments also show that the logistic model gives confusions that are closer to the type of confusions observed in live situations. The hope is that these new error models will be able to improve the resulting performance of trained dialogue systems. © 2012 IEEE.

Direct numerical simulation of turbulent flows over superhydrophobic surfaces with gas pockets using linearized boundary conditions

Superhydrophobic surfaces are shown to be effective for surface drag reduction under laminar regime by both experiments and simulations (see for example, Ou and Rothstein, Phys. Fluids 17:103606, 2005). However, such drag reduction for fully developed turbulent flow maintaining the Cassie-Baxter state remains an open problem due to high shear rates and flow unsteadiness of turbulent boundary layer. Our work aims to develop an understanding of mechanisms leading to interface breaking and loss of gas pockets due to interactions with turbulent boundary layers. We take advantage of direct numerical simulation of turbulence with slip and no-slip patterned boundary conditions mimicking the superhydrophobic surface. In addition, we capture the dynamics of gas-water interface, by deriving a proper linearized boundary condition taking into account the surface tension of the interface and kinematic matching of interface deformation and normal velocity conditions on the wall. We will show results from our simulations predicting the dynamical behavior of gas pocket interfaces over a wide range of dimensionless surface tensions.

QtUCP-A program for determining unit-cell parameters in electron diffraction experiments using double-tilt and rotation-tilt holders

A computer program, QtUCP, has been developed based on several well-established algorithms using GCC 4.0 and Qt (R) 4.0 (Open Source Edition) under Debian GNU/Linux 4.0r0. it can determine the unit-cell parameters from an electron diffraction tilt series obtained from both double-tilt and rotation-tilt holders. In this approach, two or more primitive cells of the reciprocal lattice are determined from experimental data, in the meantime, the measurement errors of the tilt angles are checked and minimized. Subsequently, the derived primitive cells are converted into the reduced form and then transformed into the reduced direct primitive cell. Finally all the patterns are indexed and the least-squares refinement is employed to obtain the optimized results of the lattice parameters. Finally, two examples are given to show the application of the program, one is based on the experiment, the other is from the simulation. (C) 2008 Elsevier B.V. All rights reserved.

Polarization effects simulation of AlGaN/GaN heterojunction by using a symbolistic delta-doping layer

Polarization effects in AlGaN/GaN heterojunction are simulated based on a traditional semiconductor device simulator. A delta doping layer is purposely inserted at the interface of the heterojunction in the simulation, so the ionized donors or acceptors can represent polarization-induced positive or negative fixed charges. The free electron distribution of single AlGaN/GaN heterostructures with Ga-face and N-face growth is compared, and the results of the simulation show that carrier confinement takes place only in the former structure. The dependence of sheet density of free electrons at the interface of Ga-face growth AlGaN/GaN on Al composition and the thickness of AlGaN is also investigated. The consistency of simulation results with the experiments and calculations reported by other researchers shows that this method can be effectively used to deal with the polarization effects in the simulation of GaN-based heterojunction devices. (C) 2004 Elsevier Ltd. All rights reserved.

Quantum-dot growth simulation on periodic stress of substrate

InAs quantum dots (QDs) are grown on the cleaved edge of an InxGa1-xAs/GaAs supperlattice experimentally and a good linear alignment of these QDs on the surface of an InxGa1-xAs layer has been realized. The modulation effects of periodic strain on the substrate are investigated theoretically using a kinetic Monte Carlo method. Our results show that a good alignment of QDs can be achieved when the strain energy reaches 2% of the atomic binding energy. The simulation results are in excellent qualitative agreement with our experiments. (C) 2005 American Institute of Physics.

Simulation of polarization effects in AlGaN/GaN heterojunction

A method for introducing polarization effects in the simulation of GaN-based heterojunction devices is proposed. A delta doping layer is inserted at the interface of heterojunction and the ionized donors or acceptors act as polarization induced fixed charges. Thus polarization effects can be taken into account in a traditional device simulator. Ga-face and N-face single AlGaN/GaN heterostructures are simulated, and the simulation results show that carrier confinement takes place only in the former structure while not in the latter one. The sheet density of free electrons at the interface of Ga-face AlGaN/GaN increases with the Al composition and the thickness of AlGaN. The consistence of simulation results with the experiments and calculations reported elsewhere shows that this method can effectively introduce polarization effects in the simulation of GaN-based heterojunction devices.

Kinetic Monte Carlo simulation of semiconductor quantum dot growth

Performing an event-based continuous kinetic Monte Carlo (KMC) simulation, We investigate the growth conditions which are important to form semiconductor quantum dot (QD) in molecular beam epitaxy (MBE) system. The simulation results provide a detailed characterization of the atomic kinetic effects. The KMC simulation is also used to explore the effects of periodic strain to the epitaxy growth of QD. The simulation results are in well qualitative agreement with experiments.