Calculating the dissociation chemistry and equation of state properties of materials

Equation of State of Warm Condensed Matter

MRS Proceedings ◽

10.1557/proc-499-105 ◽

1997 ◽

Vol 499 ◽

Author(s):

T. W. Barbee ◽

D. A. Young ◽

F. J. Rogers

Keyword(s):

Equation Of State ◽

Finite Temperature ◽

Condensed Matter ◽

Accurate Determination ◽

Temperature Limit ◽

High Temperature Limit ◽

Condensed Matter Theory ◽

Matter Theory ◽

Properties Of Materials

ABSTRACTRecent advances in computational condensed matter theory have yielded accurate calculations of properties of materials. These calculations have, for the most part, focused on the low temperature (T=0) limit. An accurate determination of the equation of state (EOS) at finite temperature also requires knowledge of the behavior of the electron and ion thermal pressure as a function of T. Current approaches often interpolate between calculated T=0 results and approximations valid in the high T limit. Plasma physics-based approaches are accurate in the high temperature limit, but lose accuracy below T∼Tfermi. We seek to “connect up” these two regimes by using ab initio finite temperature methods (including linear-response[l] based phonon calculations) to derive an equation of state of condensed matter for T<Tfermi.We will present theoretical results for the principal Hugoniot of shocked materials, including carbon and aluminum, up to pressures P>100 GPa and temperatures T> 104K, and compare our results with available experimental data.

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Metallurgical Effects of Grain Boundary Ledges

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100078225 ◽

1977 ◽

Vol 35 ◽

pp. 126-129

Author(s):

L.E. Murr

Keyword(s):

Grain Boundary ◽

Quantitative Data ◽

Mechanical Treatment ◽

Unit Length ◽

Physical And Mechanical Properties ◽

Direct Observations ◽

Transmission Electron ◽

Properties Of Materials ◽

Thermo Mechanical Treatment ◽

Ledge Density

Ledges in grain boundaries can be identified by their characteristic contrast features (straight, black-white lines) distinct from those of lattice dislocations, for example1,2 [see Fig. 1(a) and (b)]. Simple contrast rules as pointed out by Murr and Venkatesh2, can be established so that ledges may be recognized with come confidence, and the number of ledges per unit length of grain boundary (referred to as the ledge density, m) measured by direct observations in the transmission electron microscope. Such measurements can then give rise to quantitative data which can be used to provide evidence for the influence of ledges on the physical and mechanical properties of materials.It has been shown that ledge density can be systematically altered in some metals by thermo-mechanical treatment3,4.

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A Stable Field Emission Electron Source

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100077918 ◽

1977 ◽

Vol 35 ◽

pp. 58-59

Author(s):

W.R. Bottoms ◽

G.B. Haydon

Keyword(s):

Field Emission ◽

Signal To Noise Ratio ◽

High Brightness ◽

Electron Sources ◽

Brightness Field ◽

Current Densities ◽

Properties Of Materials ◽

Stable Field ◽

Stable Current ◽

Careful Design

There is great interest in improving the brightness of electron sources and therefore the ability of electron optical instrumentation to probe the properties of materials. Extensive work by Dr. Crew and others has provided extremely high brightness sources for certain kinds of analytical problems but which pose serious difficulties in other problems. These sources cannot survive in conventional system vacuums. If one wishes to gather information from the other signal channels activated by electron beam bombardment it is necessary to provide sufficient current to allow an acceptable signal-to-noise ratio. It is possible through careful design to provide a high brightness field emission source which has the capability of providing high currents as well as high current densities to a specimen. In this paper we describe an electrode to provide long-lived stable current in field emission sources.The source geometry was based upon the results of extensive computer modeling. The design attempted to maximize the total current available at a specimen.

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