Engineering Physics Commons^™

Magnetochemical Origin For Invar Anomalies In Iron-Nickel Alloys, V. Crisan, P. Entel, H. Ebert, H. Akai, Duane D. Johnson, J. B. Staunton

Duane D. Johnson

Zero- and finite-temperature (T) first-principles calculations versus composition (c) show that magnetochemical effects lead to Invar anomalies in Fe-(Ni, Co, Pt) alloys. Chemical short- or long-range order and negative interatomic exchange interaction of electrons in antibonding majority-spin states force the face-centered-cubic lattice to compete simultaneously for a smaller volume (from antiferromagnetic tendencies) and a larger volume (from Stoner ferromagnetic tendencies). The resulting additional negative lattice anharmonicity is very large for Fe-(Ni, Co) while absent for Fe-Pt. Our results explain the T- and c-dependent behavior of Invar properties, including the lattice softening and thermal expansion of Fe-Ni. In addition, the occurrence …

Absolute Tin(111) Step Energies From Analysis Of Anisotropic Island Shape Fluctuations, S. Kodambaka, V. Petrova, S. V. Khare, Duane D. Johnson, I. Petrov, J. E. Greene

Duane D. Johnson

In situ high-temperature (1165–1248 K) scanning tunneling microscopy was used to measure fluctuations around the equilibrium shape of two-dimensional vacancy islands on TiN(111) terraces. From the equilibrium shape, the ratio of the two ⟨110⟩ step energies was found to be 0.72±0.02. Combining this with the results of an exact approach for analysis of shape fluctuations, applicable to highly anisotropic islands, we obtain absolute values for step energies and step stiffnesses as a function of orientation.

First-Principles Theory Of The Temperature And Compositional Dependence Of Atomic Short-Range Order In Disordered Cu-Pd Alloys, R. V. Chepulskii, J. B. Staunton, Ezio Bruno, B. Ginatempo, Duane D. Johnson

Duane D. Johnson

We combine the first-principles, Korringa-Kohn-Rostoker coherent potential approximation based calculations of compositional fluctuations with a statistical mechanical ring approximation to study the temperature (T) and composition (c) dependence of the atomic short-range order (SRO) in disordered, face-centred cubic, Cu-Pd alloys. The fourfold splitting of SRO peaks around the equivalent X(0,1,0) points in reciprocal space is obtained in a wide T−c region. Such splitting is shown to be an “energy” effect caused by the absolute minima of the Fourier transform of the effective atomic interactions and related previously to the existence of nested sheets of the disordered alloy’s Fermi surface. However, …

Specification Of Jecp/Sp: Stereographic Projection With An Application For Specimen Orientation Adjustment Using Tem Holders, Xingzhong Li

Nebraska Center for Materials and Nanoscience: Faculty Publications

1. Purpose of the program 2. Graphic user interface and program design 3. Crystallographic principle and implementation 4. System requirement 5. Installation and user instruction 6. How to contact the author 7. References

1. Purpose of the program JECP/SP is a computer program in Java Electron Crystallography Package. JECP is developed for quantitative electron diffraction and image processing, the package is designed and written by Dr. XingZhong Li. JECP/SP provides the all necessary functions of stereographic projection for regular application and furthermore it can be used to minimized the difficulties encountered when tilting highly beam-sensitive, or small-grain-size specimens with known …

Jecp/Ed Manual, Xingzhong Li

Nebraska Center for Materials and Nanoscience: Faculty Publications

JECP/ED is a Java program with graphic interface for simulating electron diffraction pattern. It is designed and written by Dr. Xingzhong in University of Nebraska- Lincoln. This is verision 12-2002. It can be used for simulating electron diffraction zone pattern(ZOLZ with/without FOLZ), it allows to select zone axis, high voltage, sample thickness in the simulation, optional to show index, intensity and Laue center, featureed with manuniplating the pattern with slightly tilting, 360 degree rotation, zoom. The diffraction intensity is calculated on the basis of the kinematical theory. The program is extended to simulate electron diffraction with a precession of incident …