H.B. Callen

Bio: H.B. Callen is an academic researcher. The author has contributed to research in topics: On the Equilibrium of Heterogeneous Substances. The author has an hindex of 1, co-authored 1 publications receiving 2854 citations.

Thermodynamics and an Introduction to Thermostatics

Abstract: GENERAL PRINCIPLES OF CLASSICAL THERMODYNAMICS. The Problem and the Postulates. The Conditions of Equilibrium. Some Formal Relationships, and Sample Systems. Reversible Processes and the Maximum Work Theorem. Alternative Formulations and Legendre Transformations. The Extremum Principle in the Legendre Transformed Representations. Maxwell Relations. Stability of Thermodynamic Systems. First--Order Phase Transitions. Critical Phenomena. The Nernst Postulate. Summary of Principles for General Systems. Properties of Materials. Irreversible Thermodynamics. STATISTICAL MECHANICS. Statistical Mechanics in the Entropy Representation: The Microanonical Formalism. The Canonical Formalism Statistical Mechanics in Helmholtz Representation. Entropy and Disorder Generalized Canonical Formulations. Quantum Fluids. Fluctuations. Variational Properties, Perturbation Expansions, and Mean Field Theory. FOUNDATIONS. Postlude: Symmetry and the Conceptual Foundations of Thermostatistics. Appendices. General References. Index.

Finite Volume Methods for Hyperbolic Problems

Abstract: Preface 1. Introduction 2. Conservation laws and differential equations 3. Characteristics and Riemann problems for linear hyperbolic equations 4. Finite-volume methods 5. Introduction to the CLAWPACK software 6. High resolution methods 7. Boundary conditions and ghost cells 8. Convergence, accuracy, and stability 9. Variable-coefficient linear equations 10. Other approaches to high resolution 11. Nonlinear scalar conservation laws 12. Finite-volume methods for nonlinear scalar conservation laws 13. Nonlinear systems of conservation laws 14. Gas dynamics and the Euler equations 15. Finite-volume methods for nonlinear systems 16. Some nonclassical hyperbolic problems 17. Source terms and balance laws 18. Multidimensional hyperbolic problems 19. Multidimensional numerical methods 20. Multidimensional scalar equations 21. Multidimensional systems 22. Elastic waves 23. Finite-volume methods on quadrilateral grids Bibliography Index.

Conceptual density functional theory.

Abstract: I. Introduction: Conceptual vs Fundamental andComputational Aspects of DFT1793II. Fundamental and Computational Aspects of DFT 1795A. The Basics of DFT: The Hohenberg−KohnTheorems1795B. DFT as a Tool for Calculating Atomic andMolecular Properties: The Kohn−ShamEquations1796C. Electronic Chemical Potential andElectronegativity: Bridging Computational andConceptual DFT1797III. DFT-Based Concepts and Principles 1798A. General Scheme: Nalewajski’s ChargeSensitivity Analysis1798B. Concepts and Their Calculation 18001. Electronegativity and the ElectronicChemical Potential18002. Global Hardness and Softness 18023. The Electronic Fukui Function, LocalSoftness, and Softness Kernel18074. Local Hardness and Hardness Kernel 18135. The Molecular Shape FunctionsSimilarity 18146. The Nuclear Fukui Function and ItsDerivatives18167. Spin-Polarized Generalizations 18198. Solvent Effects 18209. Time Evolution of Reactivity Indices 1821C. Principles 18221. Sanderson’s Electronegativity EqualizationPrinciple18222. Pearson’s Hard and Soft Acids andBases Principle18253. The Maximum Hardness Principle 1829IV. Applications 1833A. Atoms and Functional Groups 1833B. Molecular Properties 18381. Dipole Moment, Hardness, Softness, andRelated Properties18382. Conformation 18403. Aromaticity 1840C. Reactivity 18421. Introduction 18422. Comparison of Intramolecular ReactivitySequences18443. Comparison of Intermolecular ReactivitySequences18494. Excited States 1857D. Clusters and Catalysis 1858V. Conclusions 1860VI. Glossary of Most Important Symbols andAcronyms1860VII. Acknowledgments 1861VIII. Note Added in Proof 1862IX. References 1865

Diffuse-interface methods in fluid mechanics

Abstract: We review the development of diffuse-interface models of hydrodynamics and their application to a wide variety of interfacial phenomena. These models have been applied successfully to situations in which the physical phenomena of interest have a length scale commensurate with the thickness of the interfacial region (e.g. near-critical interfacial phenomena or small-scale flows such as those occurring near contact lines) and fluid flows involving large interface deformations and/or topological changes (e.g. breakup and coalescence events associated with fluid jets, droplets, and large-deformation waves). We discuss the issues involved in formulating diffuse-interface models for single-component and binary fluids. Recent applications and computations using these models are discussed in each case. Further, we address issues including sharp-interface analyses that relate these models to the classical free-boundary problem, computational approaches to describe interfacial phenomena, and models of fully miscible fluids.

Mechanisms of pulsed laser ablation of biological tissues.

Abstract: Author(s): Vogel, Alfred; Venugopalan, Vasan | Abstract: The mechanisms of pulsed laser ablation of biological tissues were studied. The transiently empty space created between the fiber tip and the tissue surface improved the optical transmission to the target and thus increased the ablation efficiency. It was found that the structure and morphology also affect the energy transport among tissue constituents.

The Mechanism of Water Oxidation: From Electrolysis via Homogeneous to Biological Catalysis

Abstract: Striving for new solar fuels, the water oxidation reaction currently is considered to be a bottleneck, hampering progress in the development of applicable technologies for the conversion of light into storable fuels. This review compares and unifies viewpoints on water oxidation from various fields of catalysis research. The first part deals with the thermodynamic efficiency and mechanisms of electrochemical water splitting by metal oxides on electrode surfaces, explaining the recent concept of the potential-determining step. Subsequently, novel cobalt oxide-based catalysts for heterogeneous (electro)catalysis are discussed. These may share structural and functional properties with surface oxides, multinuclear molecular catalysts and the catalytic manganese–calcium complex of photosynthetic water oxidation. Recent developments in homogeneous water-oxidation catalysis are outlined with a focus on the discovery of mononuclear ruthenium (and non-ruthenium) complexes that efficiently mediate O2 evolution from water. Water oxidation in photosynthesis is the subject of a concise presentation of structure and function of the natural paragon—the manganese–calcium complex in photosystem II—for which ideas concerning redox-potential leveling, proton removal, and OO bond formation mechanisms are discussed. The last part highlights common themes and unifying concepts.