reviews in computational chemistry iv. edited by k. b. lipkowitz and d. b. boyd, vch weinheim 1993,...

1
ADVANCED MATERIALS Book Reviews on photo-assisted CVD, discusses all processes in which photons are used to drive chemical reactions and includes laser- and lamp-driven processes. The emphasis is on results gleaned from the last five years of research. Chapter9 complements Chapter 3 by presenting techniques that can be used to character- ize films formed by CVD processes. The emphasis is on silicon films. Optical characterization, electron spin reso- nance, electrical techniques, and device characterization are also discussed. The concluding chapter covers protective coatings, which, in general, must be thicker, be produced at lower cost, and may consist of a wide variety of materi- als such as metal carbides, nitrides, and borides. Overall, the authors have presented an extensive amount of information that is well referenced. The book is written at a fairly high technical level and will prove most useful to readers with some background in CVD processes, al- though enough introductory material is presented to make the book a resource for other readers in related fields. Toivo Kodas Center for Micro-Engineered Ceramics University of New Mexico Albuquerque, NM 87 131 (USA) Reviews in Computational Chemistry IV. Edited by K. B. Lbkowitz and D. B. Boyd, VCH, Weinheim 1993, XIX, 280 pp., hardcover, DM 138, ISBN This volume, the fourth in the series, will be eagerly awaited by researchers in the growing field of computational chemistry. The editors have obviously given some thought to the problem of keeping the standard of the series as high as that of the earlier volumes and have succeeded in putting together an- other informative and readable collec- tion of reviews. The first chapter, by Jerzy Cioslowski, deals with large scale ab initio calcula- tions. The soft- and hardware require- ments, performance obtainable and the theoretical techniques used are dis- cussed before some recent applications are described. Chapter2, by McKee and Page, is entitled “Computing Reaction Path- ways on Molecular Potential Energy 3-527-89520-1. Surfaces”. This is an admirable contri- bution that everyone starting to do cal- culations on molecules and reactions should read. It includes a little elemen- tary theory and many practical tips. The most comprehensive chapter, by Whitnell and Wilson, deals with “Computational Molecular Dynamics of Chemical Reactions in Solution”. Once again, this chapter provides an ex- cellent overview of one of the most im- portant topics in modern computational chemistry. r The fourth and final chapter, by DeKock, Madura, Rioux and Casanova, IS unusual for this series because it deals with teaching computational chemistry to undergraduates. I found it fascinating simply to learn how computational chemistry is being taught in a variety of environments. The subject clearly re- quires teaching techniques that are not common in more traditional chemical education and this chapter provides sev- eral useful suggestions and examples. In general, this book, which con- cludes with the usual review of available software, maintains the high standard of its predecessors. It is one of those books that never stays on my bookshelf very long because it is continuously being borrowed by colleagues and students. Tim Clark Institut fur Organische Chemie, Universitat Erlangen -Numberg, Henkestrasse 42, D-91054 Erlangen (FRG) Electrodeposition-The Materials Sci- ence of Coatings and Substrates. By Jack W Dini, Noyes Publications, Park Ridge, NJ 1993, 367 pp., hard- cover, US $78, ISBN 0-8155-1320-8. As a materials scientist and non-spe- cialist in electrodeposition, I found this book extremely readable, logically orga- nized and informative. The approach Dini has taken---materials science linkages between preparation-charac- terization - performance relations-pro- vides a good backbone upon which he ties together both the historical art and current science and technology of elec- trodeposited thin films. As Dini points out in the first in- troductory chapter, he is not the first person to use a materials science ap- proach to develop an understanding of electrodeposition. However, the com- prehensive nature of this book along with a significant amount of updated in- formation and relatively new approach- es to correlating microstructure with preparation-property relations, makes it essential reading for anyone involved in this field. In particular, Chapter 6 brings together the concepts of mi- crostructural classification and evolu- tion through the structure zone models and indicates how mathematical ap- proaches, such as those based upon frac- tal geometry, are being used to develop quantifiable models and linkages. Such an approach is linked to properties in Chapter 5 by considering the micro- structural size relations and how they relate to resulting coating properties. Further to the historical “black magic” of additives to the electrodeposition so- lutions (Chap. 7), Dini points to their resulting effects on microstructure and, therefore, properties. The chapters of the book are orga- nized logically by first starting with the substrate and the important aspects of hydrogen embrittlement and its preven- tion/control (Chap. 2) and then consid- ering both the materials control and re- sulting properties of the interfacial layers, which are technologically so im- portant to ultimate coating perfor- mance. As the author discusses both adhesion (Chap. 3) and diffusion (Chap. 4), both the measurement and control of these critically important properties are covered in detail. After the substrate and interfacial as- pects of the electrodeposition process are presented, the reader is then intro- duced to the various characteristics and properties of the bulk electrodeposited coating, including a general discussion of properties (Chap. 5) and structure (Chap. 6), especially microstructure, 88 (3 VCH fi~rlugspsrllschuft mbH, 0-69469 Wrcnhrim. 1994 0935-9648~94~0101-088 $5 00 f 2510 Adv Muter 1994, 6, No 1

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Page 1: Reviews in computational chemistry IV. Edited by K. B. Lipkowitz and D. B. Boyd, VCH Weinheim 1993, XIX, 280 pp., hardcover, DM 138, ISBN 3-527-89520-1

ADVANCED MATERIALS

Book Reviews

on photo-assisted CVD, discusses all processes in which photons are used to drive chemical reactions and includes laser- and lamp-driven processes. The emphasis is on results gleaned from the last five years of research. Chapter9 complements Chapter 3 by presenting techniques that can be used to character- ize films formed by CVD processes. The emphasis is on silicon films. Optical characterization, electron spin reso- nance, electrical techniques, and device characterization are also discussed. The concluding chapter covers protective coatings, which, in general, must be thicker, be produced at lower cost, and may consist of a wide variety of materi- als such as metal carbides, nitrides, and borides.

Overall, the authors have presented an extensive amount of information that is well referenced. The book is written at a fairly high technical level and will prove most useful to readers with some background in CVD processes, al- though enough introductory material is presented to make the book a resource for other readers in related fields.

Toivo Kodas Center for Micro-Engineered Ceramics

University of New Mexico Albuquerque, NM 87 131 (USA)

Reviews in Computational Chemistry IV. Edited by K. B. Lbkowitz and D. B. Boyd, VCH, Weinheim 1993, XIX, 280 pp., hardcover, DM 138, ISBN

This volume, the fourth in the series, will be eagerly awaited by researchers in the growing field of computational chemistry. The editors have obviously given some thought to the problem of keeping the standard of the series as high as that of the earlier volumes and have succeeded in putting together an- other informative and readable collec- tion of reviews.

The first chapter, by Jerzy Cioslowski, deals with large scale ab initio calcula- tions. The soft- and hardware require- ments, performance obtainable and the theoretical techniques used are dis- cussed before some recent applications are described.

Chapter2, by McKee and Page, is entitled “Computing Reaction Path- ways on Molecular Potential Energy

3-527-89520-1.

Surfaces”. This is an admirable contri- bution that everyone starting to do cal- culations on molecules and reactions should read. It includes a little elemen- tary theory and many practical tips.

The most comprehensive chapter, by Whitnell and Wilson, deals with “Computational Molecular Dynamics of Chemical Reactions in Solution”. Once again, this chapter provides an ex- cellent overview of one of the most im- portant topics in modern computational chemistry.

r

The fourth and final chapter, by DeKock, Madura, Rioux and Casanova, IS unusual for this series because it deals with teaching computational chemistry to undergraduates. I found it fascinating simply to learn how computational chemistry is being taught in a variety of environments. The subject clearly re- quires teaching techniques that are not common in more traditional chemical education and this chapter provides sev- eral useful suggestions and examples.

In general, this book, which con- cludes with the usual review of available software, maintains the high standard of its predecessors. It is one of those books that never stays on my bookshelf very long because it is continuously being borrowed by colleagues and students.

Tim Clark Institut fur Organische Chemie,

Universitat Erlangen -Numberg, Henkestrasse 42,

D-91054 Erlangen (FRG)

Electrodeposition-The Materials Sci- ence of Coatings and Substrates. By Jack W Dini, Noyes Publications, Park Ridge, NJ 1993, 367 pp., hard- cover, US $78, ISBN 0-8155-1320-8.

As a materials scientist and non-spe- cialist in electrodeposition, I found this book extremely readable, logically orga- nized and informative. The approach Dini has taken---materials science linkages between preparation-charac- terization - performance relations-pro- vides a good backbone upon which he ties together both the historical art and current science and technology of elec- trodeposited thin films.

As Dini points out in the first in- troductory chapter, he is not the first person to use a materials science ap- proach to develop an understanding of electrodeposition. However, the com- prehensive nature of this book along with a significant amount of updated in- formation and relatively new approach- es to correlating microstructure with preparation-property relations, makes it essential reading for anyone involved in this field. In particular, Chapter 6 brings together the concepts of mi- crostructural classification and evolu- tion through the structure zone models and indicates how mathematical ap- proaches, such as those based upon frac- tal geometry, are being used to develop quantifiable models and linkages. Such an approach is linked to properties in Chapter 5 by considering the micro- structural size relations and how they relate to resulting coating properties. Further to the historical “black magic” of additives to the electrodeposition so- lutions (Chap. 7), Dini points to their resulting effects on microstructure and, therefore, properties.

The chapters of the book are orga- nized logically by first starting with the substrate and the important aspects of hydrogen embrittlement and its preven- tion/control (Chap. 2) and then consid- ering both the materials control and re- sulting properties of the interfacial layers, which are technologically so im- portant to ultimate coating perfor- mance. As the author discusses both adhesion (Chap. 3) and diffusion (Chap. 4), both the measurement and control of these critically important properties are covered in detail.

After the substrate and interfacial as- pects of the electrodeposition process are presented, the reader is then intro- duced to the various characteristics and properties of the bulk electrodeposited coating, including a general discussion of properties (Chap. 5 ) and structure (Chap. 6) , especially microstructure,

88 (3 VCH fi~rlugspsrllschuft mbH, 0-69469 Wrcnhrim. 1994 0935-9648~94~0101-088 $ 5 00 f 2510 Adv Muter 1994, 6 , No 1