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[null,"1.","Record Nr.",null,"UNINA9910506395803321"]
[null,null,"Autore",null,"Bauerhenne Bernd"]
[null,null,"Titolo",null,"Materials interaction with femtosecond lasers : theory and ultra-large-scale simulations of thermal and nonthermal phenomena / / Bernd Bauerhenne"]
[null,null,"Pubbl/distr/stampa",null,"Cham, Switzerland : , : Springer, , [2021]"]
[{"$nulls":4},"©2021"]
[null,null,"ISBN",null,"3-030-85135-4"]
[null,null,"Descrizione fisica",null,"1 online resource (554 pages)"]
[null,null,"Disciplina",null,"621.366"]
[null,null,"Soggetti",null,"Femtosecond lasers"]
[{"$nulls":4},"Solids - Effect of lasers on"]
[{"$nulls":4},"Picosecond pulses"]
[null,null,"Lingua di pubblicazione",null,"Inglese"]
[null,null,"Formato",null,"Materiale a stampa"]
[null,null,null,"Livello bibliografico","Monografia"]
[null,null,"Nota di contenuto",null,"Intro -- Foreword -- Acknowledgements -- About This Book -- Contents -- About the Author -- Acronyms -- List of Symbols -- 1 Introduction -- References -- 2 Ab-initio Description of Solids -- 2.1 Quantum Mechanical Description -- 2.2 Born-Oppenheimer Approximation -- 2.2.1 Nuclei Motion in the Harmonic Approximation in Crystalline Systems -- 2.3 Density Functional Theory -- 2.3.1 Hohenberg-Kohn Theorems -- 2.3.2 Kohn-Sham Equations -- 2.3.3 Approximations to the Exchange Correlation Functional -- 2.3.4 Bloch Waves in Crystalline Systems -- 2.3.5 Using a Set of Basis Functions -- 2.3.6 Solving the Kohn-Sham Equations Self Consistently -- 2.3.7 Density Mixing to Speed up the Solution of the Kohn-Sham Equations -- 2.3.8 Pseudopotentials -- 2.3.9 Electronic Band Structure of Solids -- 2.4 Te-dependent Density Functional Theory -- 2.4.1 Basic Considerations of Thermodynamics -- 2.4.2 Basic Considerations of Statistical Mechanics -- 2.4.3 Mermin's Theorems -- 2.4.4 Te-dependent Kohn-Sham Equations -- 2.5 Summary -- References -- 3 Ab-initio Description of a Fs-laser Excitation -- 3.1 Basic Considerations of Electrodynamics -- 3.1.1 Maxwell Equations in Vacuum -- 3.1.2 Radiation of Electromagnetic Waves -- 3.1.3 Energy in Electromagnetic Fields -- 3.1.4 Interaction of a Charged Particle with an Electromagnetic Wave -- 3.2 Basic Considerations of Second Quantization -- 3.2.1 Second Quantization for Electrons -- 3.2.2 "]
[{"$nulls":4},"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."]
[{"$nulls":4},"4 Ab-Initio MD Simulations of the Excited Potential Energy Surface -- 4.1 Molecular Dynamics Simulation Setup -- 4.1.1 Velocity Verlet Algorithm -- 4.1.2 Preparation of Initial Conditions -- 4.2 Calculation of the Diffraction Peak Intensities -- 4.3 Fs-Laser Induced Thermal Phonon Squeezing and Antisqueezing -- 4.4 DFT Calculations and MD Simulations of Si at Various Te's -- 4.4.1 Equilibrium Structure -- 4.4.2 Cohesive Energies at Various Te's -- 4.4.3 Phonon Band Structure at Various Te's -- 4.4.4 MD Simulations of Thermal Phonon Antisqueezing  at Moderate Te's -- 4.4.5 MD Simulations of Non-thermal Melting at High Te's -- 4.4.6 Behavior of the Electronic Indirect Band Gap -- 4.4.7 MD Simulations of a Thin-Film at Various Te's -- 4.4.8 Summary of the Effects Induced by an Increased Te -- 4.5 DFT Calculations and MD Simulations of Sb at Various Te's -- 4.5.1 Equilibrium Structure -- 4.5.2 Cohesive Energies at Various Te's -- 4.5.3 Potential Energy Surface and Displacive Excitation  of the A1g Phonon -- 4.5.4 Phonon Band Structure at Various Te's -- 4.5.5 MD Simulations of the A1g-Phonon Excitation at Various Te's -- 4.5.6 MD Simulations of Thermal Phonon Antisqueezing at Moderate Te's -- 4.5.7 MD Simulations of Non-thermal Melting at High Te's -- 4.5.8 MD Simulations of a Thin-Film at Various Te's -- 4.5.9 Summary of the Effects Induced by an Increased Te -- 4.6 THz Emission from Coherent Phonon Oscillations in BNNTs -- 4.6.1 Equilibrium Structure -- 4.6.2 Displacive Excitation of Coherent Phonons in BNNTs -- 4.6.3 THz Radiation from Coherent Phonon Oscillations in the (5, 0) Zigzag BNNT -- 4.7 Summary -- References -- 5 Empirical MD Simulations of Laser-Excited Matter -- 5.1 Interatomic Potentials for Ground State Electrons in Solid State Physics -- 5.1.1 Classical Analytical Interatomic Potential Models."]
[{"$nulls":4},"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 "]
[{"$nulls":4},"Excited Si -- 7.1 Te-Dependent Interatomic Potential for Si -- 7.1.1 Ab-Initio Reference Simulations Used for Fitting -- 7.1.2 Parameter Fitting of Classical Interatomic Potentials -- 7.1.3 Polynomial Interatomic Potential Φ(Si)(Te)."]
[{"$nulls":4},"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."]
[{"$nulls":4},"9.1.9 MD Simulations of Femtosecond Laser-Pulse Excited Sb -- 9.2 Future Perspectives -- Reference -- Appendix A Additional Information and Tables -- A.1 Review of Vector Calculus -- A.2 Method of Least Squares and Givens Rotations -- A.3 Implementation of the e-Phonon Coupling in Velocity Verlet -- A.4 Calculation of the Pressure in a MD Simulation -- A.5 Electronic Specific Heat of Si -- A.6 Adapted Parameters of Classical Potentials to Describe FS-Laser Excited Si -- A.7 Performance of Reparametrized Classical Potentials for Si -- A.8 Coefficients of the Polynomial Interatomic Potential Φ(Si)(Te) for Si -- A.8.1 Modified Coefficients for the Tm-Corrected Interatomic Potential -- A.9 Coefficients of the Polynomial Interatomic Potential Φ(Sb)(Te) for Sb -- A.10 Electronic Specific Heat of Sb -- A.11 Optical Properties of Sb as a Function of the Peierls Parameter -- A.12 Electron-Phonon Coupling Constant of Sb -- A.13 Gaussian Basis Sets Used in CHIVES -- References -- Index."]
[null,"2.","Record Nr.",null,"UNINA9910701085003321"]
[null,null,"Titolo",null,"VA real property [[electronic resource] ] : realignment progressing, but greater transparency about future priorities is needed : report to congressional committees"]
[null,null,"Pubbl/distr/stampa",null,"[Washington, D.C.] : , : U.S. Govt. Accountability Office, , [2011]"]
[null,null,"Descrizione fisica",null,"1 online resource (ii, 39 pages)"]
[null,null,"Soggetti",null,"Government property - United States - Management"]
[{"$nulls":4},"Building leases - United States - Management"]
[{"$nulls":4},"Real property - United States - Management"]
[null,null,"Lingua di pubblicazione",null,"Inglese"]
[null,null,"Formato",null,"Materiale a stampa"]
[null,null,null,"Livello bibliografico","Monografia"]
[null,null,null,"Note generali","Title from PDF title screen (viewed Sept. 26, 2011)."]
[{"$nulls":4},"\"January 2011.\""]
[{"$nulls":4},"\"GAO-11-197.\""]
[null,null,null,"Nota di bibliografia","Includes bibliographical references."]