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The Flexibility of Optical Metrics
Home Search Collections Journals About Contact us My IOPscience The flexibility of optical metrics This content has been downloaded from IOPscience. Please scroll down to see the full text. 2016 Class. Quantum Grav. 33 165008 (http://iopscience.iop.org/0264-9381/33/16/165008) View the table of contents for this issue, or go to the journal homepage for more Download details: IP Address: 128.220.159.5 This content was downloaded on 08/05/2017 at 21:52 Please note that terms and conditions apply. You may also be interested in: Induced optical metric in the non-impedance-matched media S A Mousavi, R Roknizadeh and S Sahebdivan Lux in obscuro: photon orbits of extremal black holes revisited Fech Scen Khoo and Yen Chin Ong Hidden geometries in nonlinear theories: a novel aspect of analogue gravity E Goulart, M Novello, F T Falciano et al. Black holes and stars in Horndeski theory Eugeny Babichev, Christos Charmousis and Antoine Lehébel Singularities in GR coupled to nonlinearelectrodynamics M Novello, S E Perez Bergliaffa and J M Salim Parity horizons in shape dynamics Gabriel Herczeg Numerical methods for finding stationary gravitational solutions Óscar J C Dias, Jorge E Santos and Benson Way Static spherically symmetric solutions in mimetic gravity: rotation curves and wormholes Ratbay Myrzakulov, Lorenzo Sebastiani, Sunny Vagnozzi et al. Supersymmetric solutions of N = (2, 0) topologically massive supergravity Nihat Sadik Deger and George Moutsopoulos Classical and Quantum Gravity Class. Quantum Grav. 33 (2016) 165008 (14pp) doi:10.1088/0264-9381/33/16/165008 -
Negative Frequency at the Horizon Theoretical Study and Experimental Realisation of Analogue Gravity Physics in Dispersive Optical Media Springer Theses
Springer Theses Recognizing Outstanding Ph.D. Research Maxime J. Jacquet Negative Frequency at the Horizon Theoretical Study and Experimental Realisation of Analogue Gravity Physics in Dispersive Optical Media Springer Theses Recognizing Outstanding Ph.D. Research Aims and Scope The series “Springer Theses” brings together a selection of the very best Ph.D. theses from around the world and across the physical sciences. Nominated and endorsed by two recognized specialists, each published volume has been selected for its scientific excellence and the high impact of its contents for the pertinent field of research. For greater accessibility to non-specialists, the published versions include an extended introduction, as well as a foreword by the student’s supervisor explaining the special relevance of the work for the field. As a whole, the series will provide a valuable resource both for newcomers to the research fields described, and for other scientists seeking detailed background information on special questions. Finally, it provides an accredited documentation of the valuable contributions made by today’s younger generation of scientists. Theses are accepted into the series by invited nomination only and must fulfill all of the following criteria • They must be written in good English. • The topic should fall within the confines of Chemistry, Physics, Earth Sciences, Engineering and related interdisciplinary fields such as Materials, Nanoscience, Chemical Engineering, Complex Systems and Biophysics. • The work reported in the thesis must represent a significant scientific advance. • If the thesis includes previously published material, permission to reproduce this must be gained from the respective copyright holder. • They must have been examined and passed during the 12 months prior to nomination. -
Package Name Software Description Project
A S T 1 Package Name Software Description Project URL 2 Autoconf An extensible package of M4 macros that produce shell scripts to automatically configure software source code packages https://www.gnu.org/software/autoconf/ 3 Automake www.gnu.org/software/automake 4 Libtool www.gnu.org/software/libtool 5 bamtools BamTools: a C++ API for reading/writing BAM files. https://github.com/pezmaster31/bamtools 6 Biopython (Python module) Biopython is a set of freely available tools for biological computation written in Python by an international team of developers www.biopython.org/ 7 blas The BLAS (Basic Linear Algebra Subprograms) are routines that provide standard building blocks for performing basic vector and matrix operations. http://www.netlib.org/blas/ 8 boost Boost provides free peer-reviewed portable C++ source libraries. http://www.boost.org 9 CMake Cross-platform, open-source build system. CMake is a family of tools designed to build, test and package software http://www.cmake.org/ 10 Cython (Python module) The Cython compiler for writing C extensions for the Python language https://www.python.org/ 11 Doxygen http://www.doxygen.org/ FFmpeg is the leading multimedia framework, able to decode, encode, transcode, mux, demux, stream, filter and play pretty much anything that humans and machines have created. It supports the most obscure ancient formats up to the cutting edge. No matter if they were designed by some standards 12 ffmpeg committee, the community or a corporation. https://www.ffmpeg.org FFTW is a C subroutine library for computing the discrete Fourier transform (DFT) in one or more dimensions, of arbitrary input size, and of both real and 13 fftw complex data (as well as of even/odd data, i.e. -
RMG-Py and Cantherm Documentation ⇌Release 2.0.0
RMG RMG-Py and CanTherm Documentation ⇌Release 2.0.0 William H. Green, Richard H. West, and the RMG Team Sep 16, 2016 CONTENTS 1 RMG User’s Guide 3 1.1 Introduction...............................................3 1.2 Release Notes..............................................4 1.3 Overview of Features...........................................6 1.4 Installation................................................7 1.5 Creating Input Files........................................... 20 1.6 Example Input Files........................................... 29 1.7 Running a Job.............................................. 36 1.8 Analyzing the Output Files........................................ 37 1.9 Species Representation.......................................... 38 1.10 Group Representation.......................................... 39 1.11 Databases................................................. 39 1.12 Thermochemistry Estimation...................................... 58 1.13 Kinetics Estimation........................................... 63 1.14 Liquid Phase Systems.......................................... 65 1.15 Guidelines for Building a Model..................................... 72 1.16 Standalone Modules........................................... 73 1.17 Frequently Asked Questions....................................... 81 1.18 Credits.................................................. 82 1.19 How to Cite................................................ 82 2 CanTherm User’s Guide 83 2.1 Introduction.............................................. -
Pyjac: Analytical Jacobian Generator for Chemical Kinetics
pyJac: analytical Jacobian generator for chemical kinetics Kyle E. Niemeyera,∗, Nicholas J. Curtisb, Chih-Jen Sungb aSchool of Mechanical, Industrial, and Manufacturing Engineering Oregon State University, Corvallis, OR 97331, USA bDepartment of Mechanical Engineering University of Connecticut, Storrs, CT, 06269, USA Abstract Accurate simulations of combustion phenomena require the use of detailed chemical kinet- ics in order to capture limit phenomena such as ignition and extinction as well as predict pollutant formation. However, the chemical kinetic models for hydrocarbon fuels of prac- tical interest typically have large numbers of species and reactions and exhibit high levels of mathematical stiffness in the governing differential equations, particularly for larger fuel molecules. In order to integrate the stiff equations governing chemical kinetics, generally reactive-flow simulations rely on implicit algorithms that require frequent Jacobian matrix evaluations. Some in situ and a posteriori computational diagnostics methods also require accurate Jacobian matrices, including computational singular perturbation and chemical ex- plosive mode analysis. Typically, finite differences numerically approximate these, but for larger chemical kinetic models this poses significant computational demands since the num- ber of chemical source term evaluations scales with the square of species count. Furthermore, existing analytical Jacobian tools do not optimize evaluations or support emerging SIMD processors such as GPUs. Here we introduce pyJac, a Python-based open-source program that generates analytical Jacobian matrices for use in chemical kinetics modeling and anal- ysis. In addition to producing the necessary customized source code for evaluating reaction rates (including all modern reaction rate formulations), the chemical source terms, and the Jacobian matrix, pyJac uses an optimized evaluation order to minimize computational and memory operations. -
An Open-Source, Extensible Software Suite for CVD Process Simulation D
An Open-Source, Extensible Software Suite for CVD Process Simulation D. G. Goodwin Division of Engineering and Applied Science SIH4 0.0016 California Institute of Technology Mail Code 104-44 0.0135 Pasadena, CA 91125 SIH2 0.852 4.8e-005 Chemical vapor deposition processes involve a com- plex interplay of chemistry and transport, both in the 0.85 0.4 vapor and on the surface. Arriving at a mechanistic H3SISIH 0.415 0.429 understanding usually requires both experimental pro- 2.9e-005 cess diagnostics and numerical simulation. Just as ap- propriate tools (gas chromatographs, lasers, spectrom- 1 0.8 0.429 eters) are required for diagnostics, suitable numerical H2SISIH2 SI3H8 0.101 tools are needed for simulation, including ones to com- 0.0038 7.3e-005 pute chemical equilibrium, simulate stirred reactors or reacting flow problems with surface chemistry, carry 0.83 out reaction path analysis, among others. To be most SI2H6 effective, these software tools should be open-source, 0.00019 so that their internal workings can be examined if nec- essary (as can be done with hardware), should be ex- tensible, and should have easy-to-use interfaces. Figure 1: Example reaction path diagram tracing the This paper describes a suite of open-source software flow of elemental silicon among species. Each node is tools designed to provide a flexible, extensible toolkit labeled with the species name and mole fraction, and for simulations involving chemical kinetics, thermo- each path is labeled with its net relative flux. It is also dynamics, and transport processes. Known as Can- possible to show arrows for the forward and reverse tera, it can be used to efficiently evaluate thermody- paths separately, and to list the reaction contributing namic properties, transport properties, and homoge- to each path. -
BIOVIA MATERIALS STUDIO OVERVIEW Datasheet
BIOVIA MATERIALS STUDIO OVERVIEW Datasheet 10 Å 3 nm 15 µm Modeling and Simulation for Next Generation Materials. BIOVIA Materials Studio® is a complete modeling and simulation environment that enables researchers in materials science and chemistry to develop new materials by predicting the relationships of a material’s atomic and molecular structure with its properties and behavior. Using Materials Studio, researchers in many industries can engineer better performing materials of all types, including pharmaceuticals, catalysts, polymers and composites, metals and alloys, batteries and fuel cells, nanomaterials, and more. Materials Studio is the world’s most advanced, yet easy Materials Visualizer provides capability to construct, manipulate to use environment for modeling and evaluating materials and view models of molecules, crystalline materials, surfaces, performance and behavior. Using Materials Studio, materials polymers, and mesoscale structures. It also supports the full scientists experience the following benefits: range of Materials Studio simulations with capabilities to • Reduction in cost and time associated with physical testing visualize results through images, animations, graphs, charts, and experimentation through “Virtual Screening” of candidate tables, and textual data. Most tools in the Materials Visualizer material variations. can also be accessed through the MaterialsScript API, allowing • Acceleration of the innovation process - developing new, better expert users to create custom capabilities and automate performing, more sustainable, and cost effective materials faster repetitive tasks. Materials Visualizer’s Microsoft Windows than can be done with physical testing and experimentation. client operates with a range of Windows and Linux server • Improved fundamental understanding of the relationship architectures to provide a highly responsive user experience. between atomic and molecular structure with material properties and behavior. -
Quick Navigation Mechanical Engineering Department Facilities
Quick Navigation Department Facilities Multi-User Facilities Other Facilities Mechanical Engineering Department Facilities Departmental Facilities and Individual Faculty Research Laboratories: Shared Services Facilities Director: Haejune Kim We provide students and researchers open access to a wide range of equipment for measuring, characterizing and imaging of samples. If necessary, shared facility staff or super user of the instrument will offer training before giving access to the equipment. The shared services facilities are available to mechanical engineering faculty and students. Currently the group maintains and has available for scheduling the following machines:VEGA II LSU SEM, KLA- Tencor P-6 Stylus Profiler, VHX-600 Digital Microscope, High Performance Liquid Chromatography (HPLC), Total Organic Carbon (TOC) Analyzer, Atomic Layer Deposition (ALD) System, MicroClimate environmental chamber, Photron FSTCAM SA5 High Speed Camera, Olympus BX 61/Visitech QLC-100 Confocal Microscopy, Simultaneous Thermal Analyzer – Q600 SDT, Differential Scanning Calorimeter – DSC Q1000, Veeco Dektak 150 Profilometer, and Salt Spray Chamber. Acoustics and Signal Processing Laboratory Contact: Dr. Yong-Joe Kim The ASPL, founded in 2009, is a research laboratory of the Department of Mechanical Engineering at Texas A&M University (TAMU), College Station, Texas, USA. It is located at James J. Cain ’51 Building #409. Prof. Yong-Joe Kim currently serves as the director for the ASPL. The current research is focused on the areas of acoustics, signal processing, vibration, dynamics, and biomechanics. Advanced Computational Mechanics Laboratory Contact: Dr. J.N. Reddy Professor Reddy’s Advanced Computational Mechanics Laboratory (ACML) at Texas A&M University is dedicated to state-of-the-art research in the development of novel mathematical models and numerical simulation of physical phenomena. -
Analogue Gravity
Analogue Gravity Carlos Barcel´o, Instituto de Astrof´ısica de Andaluc´ıa Granada, Spain e-mail: [email protected] http://www.iaa.csic.es/ Stefano Liberati, International School for Advanced Studies and INFN Trieste, Italy e-mail: [email protected] http://www.sissa.it/˜liberati and Matt Visser, Victoria University of Wellington New Zealand e-mail: [email protected] http://www.mcs.vuw.ac.nz/˜visser (Friday 13 May 2005; Updated 1 June 2005; LATEX-ed February 4, 2008) 1 Abstract Analogue models of (and for) gravity have a long and distinguished history dating back to the earliest years of general relativity. In this review article we will discuss the history, aims, results, and future prospects for the various analogue models. We start the discussion by presenting a particularly simple example of an analogue model, before exploring the rich history and complex tapestry of models discussed in the literature. The last decade in particular has seen a remarkable and sustained development of analogue gravity ideas, leading to some hundreds of published articles, a workshop, two books, and this review article. Future prospects for the analogue gravity programme also look promising, both on the experimental front (where technology is rapidly advancing) and on the theoretical front (where variants of analogue models can be used as a springboard for radical attacks on the problem of quantum gravity). 2 Contents 1 Introduction 8 1.1 Going further ........................... 9 2 The simplest example of an analogue model 10 2.1 Background ............................ 10 2.2 Geometrical acoustics ....................... 11 2.3 Physical acoustics ........................ -
A Partial Glossary of Spanish Geological Terms Exclusive of Most Cognates
U.S. DEPARTMENT OF THE INTERIOR U.S. GEOLOGICAL SURVEY A Partial Glossary of Spanish Geological Terms Exclusive of Most Cognates by Keith R. Long Open-File Report 91-0579 This report is preliminary and has not been reviewed for conformity with U.S. Geological Survey editorial standards or with the North American Stratigraphic Code. Any use of trade, firm, or product names is for descriptive purposes only and does not imply endorsement by the U.S. Government. 1991 Preface In recent years, almost all countries in Latin America have adopted democratic political systems and liberal economic policies. The resulting favorable investment climate has spurred a new wave of North American investment in Latin American mineral resources and has improved cooperation between geoscience organizations on both continents. The U.S. Geological Survey (USGS) has responded to the new situation through cooperative mineral resource investigations with a number of countries in Latin America. These activities are now being coordinated by the USGS's Center for Inter-American Mineral Resource Investigations (CIMRI), recently established in Tucson, Arizona. In the course of CIMRI's work, we have found a need for a compilation of Spanish geological and mining terminology that goes beyond the few Spanish-English geological dictionaries available. Even geologists who are fluent in Spanish often encounter local terminology oijerga that is unfamiliar. These terms, which have grown out of five centuries of mining tradition in Latin America, and frequently draw on native languages, usually cannot be found in standard dictionaries. There are, of course, many geological terms which can be recognized even by geologists who speak little or no Spanish. -
BIOVIA Materials Studio CANTERA
MATERIALS STUDIO CANTERA OVERVIEW KEY USES OF CANTERA A detailed knowledge of reaction kinetics is required in order to accurately model chemically reacting or combusting systems. Reactor Design, Optimization & Improvement These systems are complex, with multiple interdependent Cantera allows users to explore the effects of reactor geometry reaction pathways and competing processes involved. Reaction and operating conditions on processes to identify trade- kinetics simulations provide predictions for the concentration offs, determine reaction controllability and optimize existing of reactants and products under a specific set of reactor reactors. conditions and geometries. Identification & Quantification of Emissions BIOVIA Materials Studio Cantera is designed to support these calculations by linking thermodynamic input and reaction Reaction kinetics simulations may be deployed to understand step data with established Cantera reaction kinetics solvers. In the byproducts of reactions and predict how process changes addition, users can supplement existing reaction mechanism can affect the process further downstream. data with quantum mechanical transition state calculations, all on a firm, thermodynamically-consistent basis. Sensitivity Analysis Users of Cantera can better identify dominant chemistry BIOVIA Materials Studio Cantera enables scientists and engineers mechanisms and understand experimentally observed results to make predictions covering a diverse range of problems, to study and optimize the most promising pathways with including exhaust-gas emissions, ignition phenomena, engine further experiments or simulations. knock, flame-speed, flammability limits, catalytic lightoff and chemical conversion. Reaction kinetics simulations for issues in fuel cell development, batteries research, fuel reforming, THE BIOVIA MATERIALS STUDIO ADVANTAGE material deposition and plasma processing research can all BIOVIA Materials Studio Cantera is part of BIOVIA Materials be addressed using BIOVIA Materials Studio. -
Doctorat De L'université De Toulouse
THESETHESE En vue de l'obtention du DOCTORAT DE L’UNIVERSITÉ DE TOULOUSE Délivré par l'Université Toulouse III - Paul Sabatier Discipline ou spécialité : Chimie Quantique et Computationnelle Présentée et soutenue par Marco Verdicchio Le 17/12/2012 Titre : Molecular simulations as test beds for bridging High Throughput and High Performance computing JURY Prof. Laganà Antonio Prof. Evangelisti Stefano Prof. Coletti Cecilia Prof. Alikhani Emsail Ecole doctorale : Ecole Doctorale Sciences de la Matiere Unité de recherche : Laboratoire de Chimie et Physique Quantiques - UMR5626 Directeur(s) de Thèse : Laganà Antonio, Evangelisti Stefano, Thierry Leininger Rapporteurs : Contents French summary 1 Introduction 21 1 Molecular Simulators 25 1.1 The general Schrodinger¨ equation . 25 1.2 The electronic structure . 26 1.3 The nuclei dynamics . 30 1.4 The chemical kinetics systems . 32 1.5 GEMS the GRID simulator . 35 1.6 The kinetics version of the workflow . 38 1.7 Bridging HTC to HPC . 39 2 Code interoperability in Quantum chemistry and Dynamics 45 2.1 Data of Ab initio Quantum Chemistry . 46 2.2 Data of Quantum Dynamics . 48 2.3 The data model: Q5cost . 49 2.4 The D5cost data model . 52 2.5 The Library . 53 2.6 Tools and Wrappers . 54 2.7 Performance and benchmarks . 57 3 High level ab initio calculations of small systems 61 3.1 Coupled-Cluster study: the electronic wavefunction of tetra- hedral clusters . 61 3.2 Geometry optimizations of the tetrahedral clusters . 68 iii CONTENTS 3.3 No-pair bonding: Cu4 basis sets and correlated orbitals . 75 3.4 The no-pair bond state .