Self-propagating exothermic reactions: the synthesis of high-temperature materials by combustion

Publisher Summary This chapter discusses statistical exchange-correlation in the self-consistent field. There are two sides to a self-consistent field calculation: the determination of the potential and the solution of Schrodinger's equation for the one-electron problem. The solution of Schrodinger's equation has fortunately advanced far enough through the application of the electronic digital computer so that it can be regarded for most purposes as being a standardized technique. The main point of the method of Gaspar, Kohn, and Sham is that they derive the approximate exchange correction from an approximate Hamiltonian for the system by varying the spin-orbitals to minimize the average value of this Hamiltonian for the ground state. The approximate Hamiltonian has many important and valuable features that are described in the chapter.

Statistical Exchange-Correlation in the Self-Consistent Field

Preparation and catalytic properties of transition metal carbides and nitrides

This updated version of the popular handbook further explains all aspects of physical vapor deposition (PVD) process technology from the characterizing and preparing the substrate material, through deposition processing and film characterization, to post-deposition processing. The emphasis of the new edition remains on the aspects of the process flow that are critical to economical deposition of films that can meet the required performance specifications, with additional information to support the original material. The book covers subjects seldom treated in the literature: substrate characterization, adhesion, cleaning and the processing. The book also covers the widely discussed subjects of vacuum technology and the fundamentals of individual deposition processes. However, the author uniquely relates these topics to the practical issues that arise in PVD processing, such as contamination control and film growth effects, which are also rarely discussed in the literature. In bringing these subjects together in one book, the reader can understand the interrelationship between various aspects of the film deposition processing and the resulting film properties. The author draws upon his long experience with developing PVD processes and troubleshooting the processes in the manufacturing environment, to provide useful hints for not only avoiding problems, but also for solving problems when they arise. He uses actual experiences, called 'war stories', to emphasize certain points. Special formatting of the text allows a reader who is already knowledgeable in the subject to scan through a section and find discussions that are of particular interest. The author has tried to make the subject index as useful as possible so that the reader can rapidly go to sections of particular interest. Extensive references allow the reader to pursue subjects in greater detail if desired. The book is intended to be both an introduction for those who are new to the field and a valuable resource to those already in the field. The discussion of transferring technology between R&D and manufacturing provided in Appendix 1, will be of special interest to the manager or engineer responsible for moving a PVD product and process from R&D into production. Appendix 2 has an extensive listing of periodical publications and professional societies that relate to PVD processing. The extensive Glossary of Terms and Acronyms provided in Appendix 3 will be of particular use to students and to those not fully conversant with the terminology of PVD processing or with the English language. This title is fully revised and updated to include the latest developments in PVD process technology. It includes 'War stories' drawn from the author's extensive experience emphasize important points in development and manufacturing. Appendices include listings of periodicals and professional societies, terms and acronyms, and material on transferring technology between R&D and manufacturing.

Handbook of physical vapor deposition (PVD) processing

Iron-based Fischer–Tropsch catalysts, which are applied in the conversion of CO and H2 into longer hydrocarbon chains, are historically amongst the most intensively studied systems in heterogeneous catalysis. Despite this, fundamental understanding of the complex and dynamic chemistry of the iron–carbon–oxygen system and its implications for the rapid deactivation of the iron-based catalysts is still a developing field. Fischer–Tropsch catalysis is characterized by its multidisciplinary nature and therefore deals with a wide variety of fundamental chemical and physical problems. This critical review will summarize the current state of knowledge of the underlying mechanisms for the activation and eventual deactivation of iron-based Fischer–Tropsch catalysts and suggest systematic approaches for relating chemical identity to performance in next generation iron-based catalyst systems (210 references).

The renaissance of iron-based Fischer-Tropsch synthesis: on the multifaceted catalyst deactivation behaviour.

/pdf/bonding-and-structures-of-transition-metals-3nlrl7ykrs.pdf

Bonding and structures of transition metals.

Methods are described for estimating energies of the electronic configurations of the gaseous ions of the lanthanides and actinides. Energies are tabulated for the lowest spectroscopic level of the configurations involving 4f, 5d, 6p, and 6s electrons for the lanthanide ions and 5f, 6d, 7p, and 7s electrons for the actinide ions. Some additional values are listed to be added to the previous tabulation for neutral atoms.

https://escholarship.org/content/qt33r8j0tg/qt33r8j0tg.pdf?t=p0lm2v

Energies of the Electronic Configurations of the Singly, Doubly, and Triply Ionized Lanthanides and Actinides

The thermodynamic data for the lanthanide and actinide metals have been combined with spectroscopic data to develop a method of estimating the energies of the electronic configurations of the neutral gaseous atoms. Energies are tabulated for the lowest spectroscopic level of each configuration. Many of the odd terms of La i have been reclassified.

/pdf/energies-of-the-electronic-configurations-of-the-lanthanide-nk637s8h9y.pdf

Energies of the Electronic Configurations of the Lanthanide and Actinide Neutral Atoms

https://escholarship.org/content/qt4hd0c931/qt4hd0c931.pdf?t=p0wt8c

A most striking confirmation of the Engel metallic correlation

The phases of the binary systems of boron with Ce, Ti, Zr, Nb, Ta, Mo, W, Th, and U were determined by X-ray examination of samples prepared by heating various mixtures of boron and the respective metal to elevated temperatures in an atmosphere of argon. Data were obtained on the sintering behavior and stability at high temperatures of many of the phases. Several phases have promising refractory properties for use under inert or reducing conditions.

/pdf/a-study-of-the-refractory-borides-4ggvug9h1i.pdf

Leo Brewer

Papers

Bonding and structures of transition metals.

Energies of the Electronic Configurations of the Singly, Doubly, and Triply Ionized Lanthanides and Actinides

Energies of the Electronic Configurations of the Lanthanide and Actinide Neutral Atoms

A most striking confirmation of the Engel metallic correlation

A Study of the Refractory Borides