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Karcich Rick

Rick Steven W. | Rick Matthias | Rick S. W.

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A Hierarchical Approach for Dependability Analysis of a Commercial Cache-Based RAID Storage Architecture

Kaaniche Mohamed, Romano Luigi, Kalbarczyk Zbigniew, Iyer Ravishankar, Karcich Rick
06 Apr 2007 cs.PF arxiv.org/abs/0704.0879

We present a hierarchical simulation approach for the dependability analysis and evaluation of a highly available commercial cache-based RAID storage system. The archi-tecture is complex and includes several layers of overlap-ping error detection and recovery mechanisms. Three ab-straction levels have been developed to model the cache architecture, cache operations, and error detection and recovery mechanism. The impact of faults and errors oc-curring in the cache and in the disks is analyzed at each level of the hierarchy. A simulation submodel is associated with each abstraction level. The models have been devel-oped using DEPEND, a simulation-based environment for system-level dependability analysis, which provides facili-ties to inject faults into a functional behavior model, to simulate error detection and recovery mechanisms, and to evaluate quantitative measures. Several fault models are defined for each submodel to simulate cache component failures, disk failures, transmission errors, and data errors in the cache memory and in the disks. Some of the parame-ters characterizing fault injection in a given submodel cor-respond to probabilities evaluated from the simulation of the lower-level submodel. Based on the proposed method-ology, we evaluate and analyze 1) the system behavior un-der a real workload and high error rate (focusing on error bursts), 2) the coverage of the error detection mechanisms implemented in the system and the error latency distribu-tions, and 3) the accumulation of errors in the cache and in the disks.

Vibrational States of the Hydrogen Isotopes on Pd(111)

Rick Steven W., Doll J. D.
16 Mar 1994 chem-ph physics.chem-ph arxiv.org/abs/chem-ph/9403008

The ground and excited vibrational states for the three hydrogen isotopes on the Pd(111) surface have been calculated. Notable features of these states are the high degree of anharmonicity, which is most prominently seen in the weak isotopic dependence of the parallel vibrational transition, and the narrow bandwidths of these states, which imply that atomic hydrogen is localized on a particular surface site on time scales of 100 picoseconds or more. Experiments to resolve ambiguities concerning the present system are suggested.

Dynamical Fluctuating Charge Force Fields: Application to Liquid Water

Rick Steven W., Stuart Steven J., Berne B. J.
10 Jun 1994 chem-ph physics.chem-ph arxiv.org/abs/chem-ph/9406002

A new molecular dynamics model in which the point charges on atomic sites are allowed to fluctuate in response to the environment is developed and applied to water. The idea for treating charges as variables is based on the concept of electronegativity equalization according to which: (a) The electronegativity of an atomic site is dependent on the atom's type and charge and is perturbed by the electrostatic potential it experiences from its neighbors and (b) Charge is transferred between atomic sites in such a way that electronegativities are equalized. The charges are treated as dynamical variables using an extended Lagrangian method in which the charges are given a fictitious mass, velocities and kinetic energy and then propagated according to Newtonian mechanics along with the atomic degrees of freedom. Models for water with fluctuating charges are developed using the geometries of two common fixed-charge water potentials: the simple point charge (SPC) and the 4-point transferable intermolecular potential (TIP4P). Both fluctuating charge models give accurate predictions for gas-phase and liquid state properties, including radial distribution functions, the dielectric constant, and the diffusion constant. The method does not introduce any new intermolecular interactions beyond those already present in the fixed charge models and increases the computer time by only a factor of 1.1, making this method tractable for large systems.

Electrostatic potentials and free energies of solvation of polar and charged molecules

Hummer Gerhard, Pratt Lawrence R., Garcia Angel E., Berne Bruce J., Rick Steven W.
16 Apr 1997 physics.chem-ph physics.bio-ph physics.comp-ph arxiv.org/abs/physics/9704020

Theories of solvation free energies often involve electrostatic potentials at the position of a solute charge. Simulation calculations that apply cutoffs and periodic boundary conditions based on molecular centers result in center-dependent contributions to electrostatic energies due to a systematic sorting of charges in radial shells. This sorting of charges induces a surface-charge density at the cutoff sphere or simulation-box boundary that depends on the choice of molecular centers. We identify a simple solution that gives correct, center-independent results, namely the radial integration of charge densities. Our conclusions are illustrated for a Lennard-Jones solute in water. The present results can affect the parameterization of force fields.

The Influence of Electrostatic Truncation on Simulations of Polarizable Systems

Rick Steven W.
16 Sep 1999 cond-mat.stat-mech arxiv.org/abs/cond-mat/9909255

Different schemes for the treatment of long-ranged electrostatic interactions will be examined for water simulations using the polarizable fluctuating charge potential. Several different methods are compared, including Ewald sums, potential shifting, spherical truncation and reaction field corrections. For liquid water, properties such as the energy, pressure, dynamics and structure are more sensitive to the treatment of the long-ranged interactions with polarizable than with non-polarizable potentials.

A Hierarchical Approach for Dependability Analysis of a Commercial Cache-Based RAID Storage Architecture

Kaaniche Mohamed, Romano Luigi, Kalbarczyk Zbigniew, Iyer Ravishankar, Karcich Rick
06 Apr 2007 cs.PF arxiv.org/abs/0704.0879

We present a hierarchical simulation approach for the dependability analysis and evaluation of a highly available commercial cache-based RAID storage system. The archi-tecture is complex and includes several layers of overlap-ping error detection and recovery mechanisms. Three ab-straction levels have been developed to model the cache architecture, cache operations, and error detection and recovery mechanism. The impact of faults and errors oc-curring in the cache and in the disks is analyzed at each level of the hierarchy. A simulation submodel is associated with each abstraction level. The models have been devel-oped using DEPEND, a simulation-based environment for system-level dependability analysis, which provides facili-ties to inject faults into a functional behavior model, to simulate error detection and recovery mechanisms, and to evaluate quantitative measures. Several fault models are defined for each submodel to simulate cache component failures, disk failures, transmission errors, and data errors in the cache memory and in the disks. Some of the parame-ters characterizing fault injection in a given submodel cor-respond to probabilities evaluated from the simulation of the lower-level submodel. Based on the proposed method-ology, we evaluate and analyze 1) the system behavior un-der a real workload and high error rate (focusing on error bursts), 2) the coverage of the error detection mechanisms implemented in the system and the error latency distribu-tions, and 3) the accumulation of errors in the cache and in the disks.

Interfaces of Propylene Carbonate

You Xinli, Chaudhari Mangesh I., Pratt Lawrence R., Pesika Noshir, Aritakula Kalika M., Rick Steven W.
20 Dec 2012 physics.chem-ph cond-mat.stat-mech arxiv.org/abs/1212.5304

Propylene carbonate (PC) wets graphite with a contact angle of 31 deg at ambient conditions. Molecular dynamics simulations agree with this contact angle after 40% reduction of the strength of graphite-C atom Lennard-Jones interactions with the solvent, relative to the models used initially. A simulated nano-scale PC droplet on graphite displays a pronounced layering tendency and an Aztex pyramid structure for the droplet. Extrapolation of the computed tensions of PC liquid-vapor interface estimates the critical temperature of PC accurately to about 3%. PC molecules lie flat on the PC liquid-vapor surface, and tend to project the propyl carbon toward the vapor phase. For close PC neighbors in liquid PC, an important packing motif stacks carbonate planes with the outer oxygen of one molecule snuggled into the positively charged propyl end of another molecule so that neighboring molecule dipole moments are approximately antiparallel. The calculated thermal expansion coefficient and the dielectric constants for liquid PC agree well with experiment. The distribution of PC molecule binding energies is closely Gaussian. Evaluation of the density of the coexisting vapor then permits estimation of the packing contribution to the PC chemical potential, and that contribution is about 2/3rds of the magnitude of the contributions due to attractive interactions, with opposite sign.

The role of attractive interactions in the dynamics of molecules in liquids

You X., Pratt L. R., Rick S. W.
06 Nov 2014 physics.chem-ph cond-mat.soft arxiv.org/abs/1411.1773

The friction kernel (or memory function) $\gamma(t)$ characterizing single-molecule dynamics in strongly bound liquids exhibits two distinct relaxations with the longer time-scale relaxation associated with attractive intermolecular forces. This observation identifies differing roles of repulsive and attractive interaction in the motions of molecules in equilibrium liquids, and thus provides a basis for a renewed investigation of a van der Waals picture of the transport properties of liquids. This conclusion is supported by extracting $\gamma(t)$ from molecular dynamics simulation data for four common molecular liquids.

Ion clustering in aqueous salt solutions near the liquid/vapor interface

Smith J. D., Rick S. W.
23 Mar 2016 cond-mat.soft physics.chem-ph arxiv.org/abs/1603.07106

Molecular dynamics simulations of aqueous NaCl, KCl, NaI, and KI solutions are used to study the effects of salts on the properties of the liquid/vapor interface. The simulations use the models which include both charge transfer and polarization effects. Pairing and the formation of larger ion clusters occurs both in the bulk and surface region, with a decreased tendency to form larger clusters near the interface. An analysis of the roughness of the surface reveals that the chloride salts, which have less tendency to be near the surface, have a roughness that is less than pure water, while the iodide salts, which have a greater surface affinity, have a larger roughness. This suggests that ions away from the surface and ions near the surface affect the interface in opposite ways.

Controlling an Autonomous Vehicle with Deep Reinforcement Learning

Folkers Andreas, Rick Matthias,
24 Sep 2019 cs.RO cs.AI cs.LG arxiv.org/abs/1909.12153

We present a control approach for autonomous vehicles based on deep reinforcement learning. A neural network agent is trained to map its estimated state to acceleration and steering commands given the objective of reaching a specific target state while considering detected obstacles. Learning is performed using state-of-the-art proximal policy optimization in combination with a simulated environment. Training from scratch takes five to nine hours. The resulting agent is evaluated within simulation and subsequently applied to control a full-size research vehicle. For this, the autonomous exploration of a parking lot is considered, including turning maneuvers and obstacle avoidance. Altogether, this work is among the first examples to successfully apply deep reinforcement learning to a real vehicle.