09824nam 2200505 450 99646684870331620220716133428.03-030-85135-4(CKB)5340000000068473(MiAaPQ)EBC6792452(Au-PeEL)EBL6792452(OCoLC)1280462614(PPN)258303174(EXLCZ)99534000000006847320220716d2021 uy 0engurcnu||||||||txtrdacontentcrdamediacrrdacarrierMaterials interaction with femtosecond lasers theory and ultra-large-scale simulations of thermal and nonthermal phenomena /Bernd BauerhenneCham, Switzerland :Springer,[2021]©20211 online resource (554 pages)3-030-85134-6 Intro -- Foreword -- Acknowledgements -- About This Book -- Contents -- About the Author -- Acronyms -- List of Symbols -- 1 Introduction -- References -- 2 Ab-initio Description of Solids -- 2.1 Quantum Mechanical Description -- 2.2 Born-Oppenheimer Approximation -- 2.2.1 Nuclei Motion in the Harmonic Approximation in Crystalline Systems -- 2.3 Density Functional Theory -- 2.3.1 Hohenberg-Kohn Theorems -- 2.3.2 Kohn-Sham Equations -- 2.3.3 Approximations to the Exchange Correlation Functional -- 2.3.4 Bloch Waves in Crystalline Systems -- 2.3.5 Using a Set of Basis Functions -- 2.3.6 Solving the Kohn-Sham Equations Self Consistently -- 2.3.7 Density Mixing to Speed up the Solution of the Kohn-Sham Equations -- 2.3.8 Pseudopotentials -- 2.3.9 Electronic Band Structure of Solids -- 2.4 Te-dependent Density Functional Theory -- 2.4.1 Basic Considerations of Thermodynamics -- 2.4.2 Basic Considerations of Statistical Mechanics -- 2.4.3 Mermin's Theorems -- 2.4.4 Te-dependent Kohn-Sham Equations -- 2.5 Summary -- References -- 3 Ab-initio Description of a Fs-laser Excitation -- 3.1 Basic Considerations of Electrodynamics -- 3.1.1 Maxwell Equations in Vacuum -- 3.1.2 Radiation of Electromagnetic Waves -- 3.1.3 Energy in Electromagnetic Fields -- 3.1.4 Interaction of a Charged Particle with an Electromagnetic Wave -- 3.2 Basic Considerations of Second Quantization -- 3.2.1 Second Quantization for Electrons -- 3.2.2 Second Quantization for Phonons -- 3.3 Reduced Electron Density Matrices -- 3.4 Effects of a Fs-laser Interaction on Matter -- 3.4.1 Effects of the Fs-Laser Field -- 3.4.2 Electron Relaxation -- 3.4.3 Electron-Phonon Relaxation -- 3.4.4 Electron-Phonon Coupling Strength -- 3.5 Physical Picture of the Fs-laser Excitation -- 3.6 Code for Highly Excited Valence Electron Systems (CHIVES) -- 3.7 Summary -- References.4 Ab-Initio MD Simulations of the Excited Potential Energy Surface -- 4.1 Molecular Dynamics Simulation Setup -- 4.1.1 Velocity Verlet Algorithm -- 4.1.2 Preparation of Initial Conditions -- 4.2 Calculation of the Diffraction Peak Intensities -- 4.3 Fs-Laser Induced Thermal Phonon Squeezing and Antisqueezing -- 4.4 DFT Calculations and MD Simulations of Si at Various Te's -- 4.4.1 Equilibrium Structure -- 4.4.2 Cohesive Energies at Various Te's -- 4.4.3 Phonon Band Structure at Various Te's -- 4.4.4 MD Simulations of Thermal Phonon Antisqueezing at Moderate Te's -- 4.4.5 MD Simulations of Non-thermal Melting at High Te's -- 4.4.6 Behavior of the Electronic Indirect Band Gap -- 4.4.7 MD Simulations of a Thin-Film at Various Te's -- 4.4.8 Summary of the Effects Induced by an Increased Te -- 4.5 DFT Calculations and MD Simulations of Sb at Various Te's -- 4.5.1 Equilibrium Structure -- 4.5.2 Cohesive Energies at Various Te's -- 4.5.3 Potential Energy Surface and Displacive Excitation of the A1g Phonon -- 4.5.4 Phonon Band Structure at Various Te's -- 4.5.5 MD Simulations of the A1g-Phonon Excitation at Various Te's -- 4.5.6 MD Simulations of Thermal Phonon Antisqueezing at Moderate Te's -- 4.5.7 MD Simulations of Non-thermal Melting at High Te's -- 4.5.8 MD Simulations of a Thin-Film at Various Te's -- 4.5.9 Summary of the Effects Induced by an Increased Te -- 4.6 THz Emission from Coherent Phonon Oscillations in BNNTs -- 4.6.1 Equilibrium Structure -- 4.6.2 Displacive Excitation of Coherent Phonons in BNNTs -- 4.6.3 THz Radiation from Coherent Phonon Oscillations in the (5, 0) Zigzag BNNT -- 4.7 Summary -- References -- 5 Empirical MD Simulations of Laser-Excited Matter -- 5.1 Interatomic Potentials for Ground State Electrons in Solid State Physics -- 5.1.1 Classical Analytical Interatomic Potential Models.5.1.2 Determining of Interatomic Potential Parameters -- 5.1.3 Machine Learning Interatomic Potentials -- 5.1.4 Performing Large Scale MD Simulations -- 5.2 Simulation of Laser Excitation via Two Temperatures and Velocity Scaling -- 5.3 Simulation of Laser Excitation via Bond-Softening in the Tersoff Potential -- 5.4 Te-Dependent Interatomic Potentials -- 5.4.1 Si Potential of Shokeen and Schelling -- 5.4.2 Si Potential of Darkins et al. -- 5.4.3 MD Simulations with a Te-Dependent Interatomic Potential -- 5.5 Universal Interatomic Potential Parameter Fitting Program -- 5.5.1 Construction of Fit Error Function -- 5.5.2 General Definition of the Analytical Form of the Interatomic Potential -- 5.5.3 Analytical Expressions for the Interatomic Potential Parameter Derivatives -- 5.5.4 Efficient and Parallelized Implementation in Fortran -- 5.6 Summary -- References -- 6 Ab-Initio Theory Considering Excited Potential Energy Surface and e-Phonon Coupling -- 6.1 Usage of Global Temperatures in the Simulation Cell -- 6.1.1 Implementation in the Velocity Verlet Algorithm -- 6.1.2 Remarks -- 6.2 Usage of Local Temperatures in the Simulation Cell -- 6.2.1 Numerical Implementation -- 6.2.2 Remarks -- 6.3 Polynomial Te-Dependent Interatomic Potential Model -- 6.3.1 Polynomial Functional Form -- 6.3.2 Fitting of Coefficients -- 6.3.3 Optimal Polynomial-Degree Combination Selection Procedure -- 6.3.4 Easy Evaluation via Power Lists -- 6.3.5 Efficient Evaluation of the Three-Body Term -- 6.3.6 Efficient Evaluation of the Four-Body Term -- 6.4 Summary -- References -- 7 Study of Femtosecond-Laser Excited Si -- 7.1 Te-Dependent Interatomic Potential for Si -- 7.1.1 Ab-Initio Reference Simulations Used for Fitting -- 7.1.2 Parameter Fitting of Classical Interatomic Potentials -- 7.1.3 Polynomial Interatomic Potential Φ(Si)(Te).7.1.4 Physical Properties of Polynomial Φ(Si)(Te) -- 7.1.5 Thermophysical Properties of Polynomial Φ(Si)(Te) -- 7.2 MD Simulations of Excited PES and EPC with Polynomial Φ(Si)(Te) -- 7.2.1 Direct Comparison of the Bragg Peak Intensities with Experiments -- 7.2.2 MD Simulations of a Femtosecond-Laser Excited Si Film -- 7.2.3 MD Simulations of Femtosecond-Laser Excited Bulk Si -- 7.3 Correction of the Melting Temperature -- 7.3.1 Correction of the 3-Body Potential Coefficients -- 7.3.2 Melting Temperature and Slope Study on Test Potentials -- 7.3.3 Correction of the 2-Body and 3-Body Potential Coefficients -- 7.4 Summary -- References -- 8 Study of Femtosecond-Laser Excited Sb -- 8.1 Te-dependent Interatomic Potential for Sb -- 8.1.1 Ab-initio Reference Simulations Used for Fitting -- 8.1.2 Optimization of the Functional Form of the Polynomial Potential -- 8.1.3 Physical Properties of Polynomial Φ(Sb)(Te) -- 8.2 Optical Properties of Sb as a Function of the Peierls Parameter -- 8.3 MD Simulations of Excited PES and EPC with Polynomial Φ(Sb)(Te) -- 8.3.1 Direct Comparison of the Bragg Peak Intensities with Experiments -- 8.3.2 Laser-Induced A7 to Sc Transition -- 8.4 Summary -- References -- 9 Summary and Outlook -- 9.1 Overview -- 9.1.1 THz Emission from Coherent Phonon Oscillations -- 9.1.2 Universal Behavior of the Indirect Electronic Band Gap in Laser-Excited Si -- 9.1.3 Theory Allowing MD Simulations Considering Excited Potential Energy Surface and Electron-Phonon Coupling -- 9.1.4 Construction of Efficient and Highly Accurate Te-Dependent Interatomic Potentials -- 9.1.5 Te-Dependent Interatomic Potential Φ(Si)(Te) for Si -- 9.1.6 Correction of the Melting Temperature of Φ(Si)(Te) to the Experimental Value -- 9.1.7 MD Simulations of Femtosecond Laser-Pulse Excited Si -- 9.1.8 Te-Dependent Interatomic Potential Φ(Sb)(Te) for Sb.9.1.9 MD Simulations of Femtosecond Laser-Pulse Excited Sb -- 9.2 Future Perspectives -- Reference -- Appendix A Additional Information and Tables -- A.1 Review of Vector Calculus -- A.2 Method of Least Squares and Givens Rotations -- A.3 Implementation of the e-Phonon Coupling in Velocity Verlet -- A.4 Calculation of the Pressure in a MD Simulation -- A.5 Electronic Specific Heat of Si -- A.6 Adapted Parameters of Classical Potentials to Describe FS-Laser Excited Si -- A.7 Performance of Reparametrized Classical Potentials for Si -- A.8 Coefficients of the Polynomial Interatomic Potential Φ(Si)(Te) for Si -- A.8.1 Modified Coefficients for the Tm-Corrected Interatomic Potential -- A.9 Coefficients of the Polynomial Interatomic Potential Φ(Sb)(Te) for Sb -- A.10 Electronic Specific Heat of Sb -- A.11 Optical Properties of Sb as a Function of the Peierls Parameter -- A.12 Electron-Phonon Coupling Constant of Sb -- A.13 Gaussian Basis Sets Used in CHIVES -- References -- Index.Femtosecond lasersSolidsEffect of lasers onPicosecond pulsesFemtosecond lasers.SolidsEffect of lasers on.Picosecond pulses.621.366Bauerhenne Bernd1072686MiAaPQMiAaPQMiAaPQBOOK996466848703316Materials Interaction with Femtosecond Lasers2568934UNISA01597oam 2200481 450 991071676370332120211229112333.0(CKB)5470000002524537(OCoLC)1263687826(EXLCZ)99547000000252453720210812j202104 ua 0engur|||||||||||txtrdacontentcrdamediacrrdacarrierAudits and energy efficiency in support of resilience /Alicen Kandt [and three others]Golden, CO :National Renewable Energy Laboratory,April 2021.1 online resource (41 pages) color illustrations, color mapsNREL/PR ;5R00-79873"April 2021.""USACE Resource Efficiency Manager Program Workshop - April 29, 2021."Includes bibliographical references (page 6).Energy consumptionUnited StatesEnergy conservationUnited StatesEnergy conservationfastEnergy consumptionfastUnited StatesfastEnergy consumptionEnergy conservationEnergy conservation.Energy consumption.Kandt Alicen1388046National Renewable Energy Laboratory (U.S.),GPOGPOOCLCOOCLCFGPOBOOK9910716763703321Audits and energy efficiency in support of resilience3446635UNINA01803oam 2200433 a 450 991069766340332120100119113628.0(CKB)5470000002390327(OCoLC)62555588(EXLCZ)99547000000239032720051212d2005 ua 0engurmn||||m||||txtrdacontentcrdamediacrrdacarrierA guide to the proper selection and use of federally approved sediment and water-quality samplers[electronic resource] /by Broderick E. Davis and the Federal Interagency Sedimentation Project ; sponsored by U.S.D.A. Agricultural Research Service ... [and others]Reston, Va. :U.S. Geological Survey,2005.1 online resource (iv, 20 pages) color illustrationsU.S. Geological Survey open-file report ;2005-1087Title from PDF title screen (viewed on Dec. 9, 2005).Includes bibliographical references.Suspended sedimentsSamplingSediment transportMeasurementWater qualityMeasurementEquipment and suppliesSuspended sedimentsSampling.Sediment transportMeasurement.Water qualityMeasurementEquipment and supplies.Davis B. E(Broderick E.)15048Federal Inter-Agency Sedimentation Project (U.S.)United States.Agricultural Research Service.Geological Survey (U.S.)GISGISGPOBOOK9910697663403321A guide to the proper selection and use of federally approved sediment and water-quality samplers3488069UNINA02792nam 2200553 450 991081817870332120170919012209.01-78238-456-110.1515/9781782384564(CKB)3710000000576854(EBL)4351155(SSID)ssj0001602494(PQKBManifestationID)16313183(PQKBTitleCode)TC0001602494(PQKBWorkID)12227987(PQKB)11321262(MiAaPQ)EBC4351155(DE-B1597)636590(DE-B1597)9781782384564(EXLCZ)99371000000057685420160205h20152015 uy 0engur|n|---|||||txtccrFrom virtue to vice negotiating anorexia /by Richard A. O'Connor and Penny Van EsterikNew York, [New York] ;Oxford, [England] :Berghahn,2015.©20151 online resource (252 p.)Food, Nutrition, and Culture ;Volume 4Description based upon print version of record.1-78238-455-3 Includes bibliographical references and index.Contents; Acknowledgments; Introduction; Section I; Chapter 1; Chapter 2; Chapter 3; Chapter 4; Chapter 5; Chapter 6; Chapter 7; Section II; Chapter 8; Chapter 9; Section III; Chapter 10; Chapter 11; Chapter 12; Section IV; Chapter 13; Chapter 14; Conclusion; References; IndexThe recovered possess the key to overcoming anorexia. Although individual sufferers do not know how the affliction takes hold, piecing their stories together reveals two accidental afflictions. One is that activity disorders—dieting, exercising, healthy eating—start as virtuous practices, but become addictive obsessions. The other affliction is a developmental disorder, which also starts with the virtuous—those eager for challenge and change. But these overachievers who seek self-improvement get a distorted life instead. Knowing anorexia from inside, the recovered offer two watchwords on helping those who suffer. One is "negotiate," to encourage compromise, which can aid recovery where coercion fails. The other is "balance," for the ill to pursue mind-with-body activities to defuse mind-over-body battles.Food, nutrition, and culture ;Volume 4.Anorexia nervosaPsychological aspectsAnorexia nervosaPsychological aspects.616.85/262O'Connor Richard A.1698427Van Esterik PennyMiAaPQMiAaPQMiAaPQBOOK9910818178703321From virtue to vice4079869UNINA