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3 Making computer crystals

Reinhard B. Neder and Thomas Proffen

in Diffuse Scattering and Defect Structure Simulations: A cook book using the program DISCUS

Published in print:
2008
Published Online:
September 2008
ISBN:
9780199233694
eISBN:
9780191715563
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780199233694.003.0003
Subject:
Physics, Crystallography: Physics

Although it might sound simple, creating a model of a cluster of atoms or an extended crystal has its difficulties. The examples range from creating simple assemblies of atoms to creating the ... More


Macromolecular Crystallization and Crystal Perfection

Naomi E. Chayen, John R. Helliwell, and Edward H. Snell

Published in print:
2010
Published Online:
May 2010
ISBN:
9780199213252
eISBN:
9780191707575
Item type:
book
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780199213252.001.0001
Subject:
Physics, Crystallography: Physics

Structural crystallography provides key information to understand the mechanism involved for biological processes. The technique requires high‐quality crystals. The book Macromolecular ... More


Incommensurate Crystallography

Sander van Smaalen

Published in print:
2007
Published Online:
January 2008
ISBN:
9780198570820
eISBN:
9780191718762
Item type:
book
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780198570820.001.0001
Subject:
Physics, Crystallography: Physics

Aperiodic crystals are crystalline materials with atomic structures that lack translational symmetry. This book gives a comprehensive account of the superspace theory for the description of the ... More


Overall summary and future thoughts

Naomi E. Chayen, John R. Helliwell, and Edward H. Snell

in Macromolecular Crystallization and Crystal Perfection

Published in print:
2010
Published Online:
May 2010
ISBN:
9780199213252
eISBN:
9780191707575
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780199213252.003.0020
Subject:
Physics, Crystallography: Physics

This chapter summarizes the state‐of‐the‐art in the field and discusses upcoming techniques to solve and to improve the current problems.


Unusual diffraction geometries

Naomi E. Chayen, John R. Helliwell, and Edward H. Snell

in Macromolecular Crystallization and Crystal Perfection

Published in print:
2010
Published Online:
May 2010
ISBN:
9780199213252
eISBN:
9780191707575
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780199213252.003.0015
Subject:
Physics, Crystallography: Physics

Unusual diffraction geometries may seem a curiosity but may stimulate novel avenues of application. Not least they illustrate a diversity of diffraction‐measuring possibilities. Laue diffraction ... More


Quantum Theory of Solids

R. E. Peierls

Published in print:
2001
Published Online:
September 2007
ISBN:
9780198507819
eISBN:
9780191709913
Item type:
book
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780198507819.001.0001
Subject:
Physics, Condensed Matter Physics / Materials

This book develops the quantum theory of solids from the basic principles of quantum mechanics. The emphasis is on a single statement of the ideas underlying the various approximations that have to ... More


Applications of Neutron Powder Diffraction

Erich H. Kisi and Christopher J. Howard

Published in print:
2008
Published Online:
January 2009
ISBN:
9780198515944
eISBN:
9780191705663
Item type:
book
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780198515944.001.0001
Subject:
Physics, Condensed Matter Physics / Materials

This book covers the theory, practicalities, and the extensive applications of neutron powder diffraction in materials science, physics, chemistry, mineralogy, and engineering. Various highlight ... More


Crystallography of the Polymethylene Chain: An Inquiry into the Structure of Waxes

Douglas L. Dorset

Published in print:
2004
Published Online:
September 2007
ISBN:
9780198529088
eISBN:
9780191712838
Item type:
book
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780198529088.001.0001
Subject:
Physics, Crystallography: Physics

This book describes the solid state behaviour of organic materials based the polymethylene chain, i.e., the functional molecular component of polyethylenes, soaps, detergents, edible fats, lipids, ... More


Aperiodic Crystals: From Modulated Phases to Quasicrystals

Ted Janssen, Gervais Chapuis, and Marc de Boissieu

Published in print:
2007
Published Online:
September 2007
ISBN:
9780198567776
eISBN:
9780191718335
Item type:
book
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780198567776.001.0001
Subject:
Physics, Crystallography: Physics

Until the 1970s, all materials studied consisted of periodic arrays of unit cells, or were amorphous. In the last decades a new class of solid state matter, called aperiodic crystals, has been found. ... More


DETERMINATION OF THE SUPERSPACE GROUP

Sander Van Smaalen

in Incommensurate Crystallography

Published in print:
2007
Published Online:
January 2008
ISBN:
9780198570820
eISBN:
9780191718762
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780198570820.003.0009
Subject:
Physics, Crystallography: Physics

This chapter presents the steps that are required to determine the superspace group of an aperiodic crystal from its diffraction pattern. This includes the analysis of the metric of the reciprocal ... More


Crystal Structure Refinement: A Crystallographer's Guide to SHELXL

Peter Müller, Regine Herbst-Irmer, Anthony L. Spek, Thomas R. Schneider, and Michael R. Sawaya

Published in print:
2006
Published Online:
September 2010
ISBN:
9780198570769
eISBN:
9780191718809
Item type:
book
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780198570769.001.0001
Subject:
Physics, Crystallography: Physics

This book covers advanced aspects of practical crystal structure refinement, focusing on practical problems in the everyday life of a crystallographer. After an introduction to SHELXL in the first ... More


Structural Crystallography of Inorganic Oxysalts

Sergey V. Krivovichev

Published in print:
2009
Published Online:
May 2009
ISBN:
9780199213207
eISBN:
9780191707117
Item type:
book
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780199213207.001.1
Subject:
Physics, Crystallography: Physics

This book deals with the structural crystallography of inorganic oxysalts in general. A special emphasis is placed upon structural topology and the methods of its description. The latter include ... More


Crystal Structure Analysis: Principles and Practice

William Clegg, Alexander J Blake, Jacqueline M Cole, John S O Evans, Peter Main, Simon Parsons, and David J Watkin (eds)

Published in print:
2009
Published Online:
September 2009
ISBN:
9780199219469
eISBN:
9780191722516
Item type:
book
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780199219469.001.0001
Subject:
Physics, Crystallography: Physics

This book presents a less mathematical approach to X-ray crystal structure determination than is given in some detailed texts and concentrates on practical aspects. The book provides the necessary ... More


The Physics of Lyotropic Liquid Crystals: Phase Transitions and Structural Properties

Antônio M. Figueiredo Neto and Silvio R. A. Salinas

Published in print:
2005
Published Online:
January 2010
ISBN:
9780198525509
eISBN:
9780191711756
Item type:
book
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780198525509.001.0001
Subject:
Physics, Crystallography: Physics

Mixtures of surfactant or amphiphilic molecules and solvents are known to display a large number of lyotropic mesophases. Although the physics of thermotropic liquid crystals has been vastly ... More


Physics of Ice

Victor F. Petrenko and Robert W. Whitworth

Published in print:
2002
Published Online:
February 2010
ISBN:
9780198518945
eISBN:
9780191707247
Item type:
book
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780198518945.001.0001
Subject:
Physics, Crystallography: Physics

Ice is one of the most abundant and environmentally important materials on Earth, and its unique and intriguing physical properties present fascinating areas of study. This book takes as its subject ... More


Conclusions

GAUTAM R. DESIRAJU and THOMAS STEINER

in The Weak Hydrogen Bond: In Structural Chemistry and Biology

Published in print:
2001
Published Online:
January 2010
ISBN:
9780198509707
eISBN:
9780191708206
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780198509707.003.0006
Subject:
Physics, Crystallography: Physics

The weak hydrogen bond was first identified in 1935, but it was only in the early 1990s that it really permeated into the consciousness of chemists and biologists. It only seems natural that this ... More


Crystals and Gelfand-Tsetlin Patterns

Ben Brubaker, Daniel Bump, and Solomon Friedberg

in Weyl Group Multiple Dirichlet Series: Type A Combinatorial Theory (AM-175)

Published in print:
2011
Published Online:
October 2017
ISBN:
9780691150659
eISBN:
9781400838998
Item type:
chapter
Publisher:
Princeton University Press
DOI:
10.23943/princeton/9780691150659.003.0002
Subject:
Mathematics, Combinatorics / Graph Theory / Discrete Mathematics

This chapter translates the definitions of the Weyl group multiple Dirichlet series into the language of crystal bases. It reinterprets the entries in these arrays and the accompanying boxing and ... More


Statement B and Crystal Graphs

Ben Brubaker, Daniel Bump, and Solomon Friedberg

in Weyl Group Multiple Dirichlet Series: Type A Combinatorial Theory (AM-175)

Published in print:
2011
Published Online:
October 2017
ISBN:
9780691150659
eISBN:
9781400838998
Item type:
chapter
Publisher:
Princeton University Press
DOI:
10.23943/princeton/9780691150659.003.0018
Subject:
Mathematics, Combinatorics / Graph Theory / Discrete Mathematics

This chapter translates Statements A and B into Statements A′ and B′ in the language of crystal bases, and explains in this language how Statement B′ implies Statement A′. It first introduces the ... More


Weyl Group Multiple Dirichlet Series: Type A Combinatorial Theory (AM-175)

Ben Brubaker, Daniel Bump, and Solomon Friedberg

Published in print:
2011
Published Online:
October 2017
ISBN:
9780691150659
eISBN:
9781400838998
Item type:
book
Publisher:
Princeton University Press
DOI:
10.23943/princeton/9780691150659.001.0001
Subject:
Mathematics, Combinatorics / Graph Theory / Discrete Mathematics

Weyl group multiple Dirichlet series are generalizations of the Riemann zeta function. Like the Riemann zeta function, they are Dirichlet series with analytic continuation and functional equations, ... More


Liquid Crystals and Harmonic Maps in Polyhedral Domains

Apala Majumdar, Jonathan Robbins, and Maxim Zyskin

in Analysis and Stochastics of Growth Processes and Interface Models

Published in print:
2008
Published Online:
September 2008
ISBN:
9780199239252
eISBN:
9780191716911
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780199239252.003.0014
Subject:
Mathematics, Probability / Statistics, Analysis

This chapter is concerned with harmonic maps from a polyhedron to the unit two-sphere, which provide a model of nematic liquid crystals in bistable displays. This chapter looks at the Dirichlet ... More


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