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density functional theory

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Series: ASM Handbook
Volume: 22A
Publisher: ASM International
Published: 01 December 2009
DOI: 10.31399/asm.hb.v22a.a0005429
EISBN: 978-1-62708-196-2
...Abstract Abstract Electronic structure methods based on the density functional theory (DFT) are used as a powerful tool for assessing the mechanical thermodynamic and defect properties of metal alloys. This article presents the origins of the electronic structure methods and their strengths...
Series: ASM Handbook
Volume: 22A
Publisher: ASM International
Published: 01 December 2009
DOI: 10.31399/asm.hb.v22a.a0005435
EISBN: 978-1-62708-196-2
...Abstract Abstract This article assesses the evolution of martensite modeling in the changing materials engineering environment. It describes the physics of displacive transformations using Ginzburg-Landau theory, microstructure representation, dynamics and simulations, density functional theory...
Image
Published: 01 December 2009
Fig. 19 Main simulation models used in materials science and related length and time scales. DFT, density functional theory; MD, molecular dynamics; MC, Monte Carlo. Source: Ref 177 More
Series: ASM Handbook
Volume: 22B
Publisher: ASM International
Published: 01 November 2010
DOI: 10.31399/asm.hb.v22b.a0005544
EISBN: 978-1-62708-197-9
... or availability, vendor, or website information. Readers are invited to recommend additions or changes to this compilation. Please send the information to MemberServiceCenter@asminternational.org, with the subject line “Attn Handbook Editor, V22B.” Electronic structure methods (density functional theory...
Series: ASM Handbook
Volume: 22B
Publisher: ASM International
Published: 01 November 2010
DOI: 10.31399/asm.hb.v22b.a0005509
EISBN: 978-1-62708-197-9
... the functions of density in the yield criterion) based on the results of the experiments and, if necessary, introduces additional parameters into the model There exist several different approaches to the mathematical description of powder densification and shrinkage. Most of them consider powder material...
Series: ASM Handbook
Volume: 20
Publisher: ASM International
Published: 01 January 1997
DOI: 10.31399/asm.hb.v20.a0002476
EISBN: 978-1-62708-194-8
... in structural applications. brittle materials ceramics density function theory fabrication graphites intermetallics tensile strength Weibull distribution BRITTLE MATERIALS (e.g., ceramics, intermetallics, and graphites) are increasingly being used in the fabrication of lightweight components...
Series: ASM Handbook
Volume: 8
Publisher: ASM International
Published: 01 January 2000
DOI: 10.31399/asm.hb.v08.a0009213
EISBN: 978-1-62708-176-4
... on the probability density function, cumulative distribution function, population mean and variance, and parameter and percentile estimation. binomial distribution cumulative distribution function exponential distribution log normal distribution normal distribution Poisson distribution population mean...
Series: ASM Handbook
Volume: 7
Publisher: ASM International
Published: 30 September 2015
DOI: 10.31399/asm.hb.v07.a0006105
EISBN: 978-1-62708-175-7
... discussed by a number of investigators ( Ref 1 , 2 , 3 , 4 ). The apparent density and green density place a practical limit on the thickness of the pressed part. The ratio of the volume of the loose powder to the volume of the compacted powder is known as the compression ratio . Functionally, it can...
Series: ASM Handbook
Volume: 2
Publisher: ASM International
Published: 01 January 1990
DOI: 10.31399/asm.hb.v02.a0001109
EISBN: 978-1-62708-162-7
... of superconductivity ( Ref 13 ) invoking a macroscopic quantum mechanical wave function or order parameter (ψ) for which |ψ( x )| 2 = n s , where n s is the density of superconducting electrons. The minimum distance over which n s may change significantly (for example, at a normal metal/ superconductor...
Series: ASM Handbook
Volume: 7
Publisher: ASM International
Published: 30 September 2015
DOI: 10.31399/asm.hb.v07.a0006117
EISBN: 978-1-62708-175-7