Spatial periodicities of defect environments in ^(57)Fe_3Al studied by Mössbauer powder diffractometry

Mössbauer powder diffractometry was used to study partially-ordered ^(57)Fe_3Al. Multiple diffraction patterns were measured at Doppler velocities across all nuclear resonances in the sample. The superlattice diffractions were analyzed to provide data on the long-range order of Fe atoms having different numbers of Al neighbors. Comparing experimental data to calculations showed that Fe atoms having three Al atoms as first-nearest neighbors (1nn) have simple cubic long-range order, similar to that of Fe atoms with four Al 1nn. The simple cubic periodicity of Fe atoms with three Al 1nn was significantly lower than expected for homogeneous antisite disorder, however. Monte-Carlo simulations and transmission electron microscopy suggest that a significant fraction of aperiodic Fe atoms with three Al 1nn are near antiphase domain boundaries

Spatial periodicities of defect environments in ^(57)Fe_3Al studied by Mössbauer powder diffractometry

Mössbauer powder diffractometry was used to study partially-ordered ^(57)Fe_3Al. Multiple diffraction patterns were measured at Doppler velocities across all nuclear resonances in the sample. The superlattice diffractions were analyzed to provide data on the long-range order of Fe atoms having different numbers of Al neighbors. Comparing experimental data to calculations showed that Fe atoms having three Al atoms as first-nearest neighbors (1nn) have simple cubic long-range order, similar to that of Fe atoms with four Al 1nn. The simple cubic periodicity of Fe atoms with three Al 1nn was significantly lower than expected for homogeneous antisite disorder, however. Monte-Carlo simulations and transmission electron microscopy suggest that a significant fraction of aperiodic Fe atoms with three Al 1nn are near antiphase domain boundaries

Characterization of a large-format, fine-pitch CdZnTe pixel detector for the HEFT balloon-Borne experiment

We have developed a large-format CdZnTe pixel detector with custom, low-noise ASIC readout, for astrophysical applications. In particular, this detector is targeted for use in the High-Energy Focusing Telescope (HEFT), a balloon-borne experiment with focusing optics for 20-70 keV. The detector is a 24 X 44 pixel array of 498-µm pitch. As a focal plane detector, uniformity from pixel to pixel is very desirable. In this paper, we present the characterization of some detector properties for the 1056 pixels on the HEFT detector. These properties include electronic noise, leakage current, spectral resolution, and count rate

MCViNE -- An object oriented Monte Carlo neutron ray tracing simulation package

MCViNE (Monte-Carlo VIrtual Neutron Experiment) is a versatile Monte Carlo (MC) neutron ray-tracing program that provides researchers with tools for performing computer modeling and simulations that mirror real neutron scattering experiments. By adopting modern software engineering practices such as using composite and visitor design patterns for representing and accessing neutron scatterers, and using recursive algorithms for multiple scattering, MCViNE is flexible enough to handle sophisticated neutron scattering problems including, for example, neutron detection by complex detector systems, and single and multiple scattering events in a variety of samples and sample environments. In addition, MCViNE can take advantage of simulation components in linear-chain-based MC ray tracing packages widely used in instrument design and optimization, as well as NumPy-based components that make prototypes useful and easy to develop. These developments have enabled us to carry out detailed simulations of neutron scattering experiments with non-trivial samples in time-of-flight inelastic instruments at the Spallation Neutron Source. Examples of such simulations for powder and single-crystal samples with various scattering kernels, including kernels for phonon and magnon scattering, are presented. With simulations that closely reproduce experimental results, scattering mechanisms can be turned on and off to determine how they contribute to the measured scattering intensities, improving our understanding of the underlying physics.Comment: 34 pages, 14 figure

AtomSim: web-deployed atomistic dynamics simulator

AtomSim, a collection of interfaces for computational crystallography simulations, has been developed. It uses forcefield-based dynamics through physics engines such as the General Utility Lattice Program, and can be integrated into larger computational frameworks such as the Virtual Neutron Facility for processing its dynamics into scattering functions, dynamical functions etc. It is also available as a Google App Engine-hosted web-deployed interface. Examples of a quartz molecular dynamics run and a hafnium dioxide phonon calculation are presented

Neutron Scattering Signature of Phonon Renormalization in Nickel (II) Oxide

The physics of mutual interaction of phonon quasiparticles with electronic spin degrees of freedom, leading to unusual transport phenomena of spin and heat, has been a subject of continuing interests for decades. Despite its pivotal role in transport processes, the effect of spin-phonon coupling on the phonon system, especially acoustic phonon properties, has so far been elusive. By means of inelastic neutron scattering and first-principles calculations, anomalous scattering spectral intensity from acoustic phonons was identified in the exemplary collinear antiferromagnetic nickel (II) oxide, unveiling strong spin-lattice correlations that renormalize the polarization of acoustic phonon. In particular, a clear magnetic scattering signature of the measured neutron scattering intensity from acoustic phonons is demonstrated by its momentum transfer and temperature dependences. The anomalous scattering intensity is successfully modeled with a modified magneto-vibrational scattering cross section, suggesting the presence of spin precession driven by phonon. The renormalization of phonon eigenvector is indicated by the observed "geometry-forbidden" neutron scattering intensity from transverse acoustic phonon. Importantly, the eigenvector renormalization cannot be explained by magnetostriction but instead, it could result from the coupling between phonon and local magnetization of ions.Comment: Research pape

Characterization of the HEFT CdZnTe pixel detectors

We have developed large format CdZnTe pixel detectors optimized for astrophysical applications. The detectors, designed for the High Energy Focusing Telescope (HEFT) balloon experiment, each consists of an array of 24x44 pixels, on a 498 μm pitch. Each of the anode segments on a CdZnTe sensor is bonded to a custom, low-noise application-specific integrated circuit (ASIC)optimized to achieve low threshold and good energy resolution. We have studied detectors fabricated by two different bonding methods and corresponding anode plane designs---the first detector has a steering electrode grid, and is bonded to the ASIC with indium bumps; the second detector has no grid but a narrower gap between anode contacts, and is bonded to the ASIC with conductive epoxy bumps and gold stud bumps in series. In this paper, we present results from detailed X-ray testing of the HEFT pixel detectors. This includes measurements of the energy resolution for both single-pixel and split-pixel events, and characterization of the effects of charge trapping, electrode biases and temperature on the spectral performance. Detectors from the two bonding methods are contrasted

CdZnTe Image Detectors for Hard-X-Ray Telescopes

Arrays of CdZnTe photodetectors and associated electronic circuitry have been built and tested in a continuing effort to develop focal-plane image sensor systems for hard-x-ray telescopes. Each array contains 24 by 44 pixels at a pitch of 498 m. The detector designs are optimized to obtain low power demand with high spectral resolution in the photon- energy range of 5 to 100 keV. More precisely, each detector array is a hybrid of a CdZnTe photodetector array and an application-specific integrated circuit (ASIC) containing an array of amplifiers in the same pixel pattern as that of the detectors. The array is fabricated on a single crystal of CdZnTe having dimensions of 23.6 by 12.9 by 2 mm. The detector-array cathode is a monolithic platinum contact. On the anode plane, the contact metal is patterned into the aforementioned pixel array, surrounded by a guard ring that is 1 mm wide on three sides and is 0.1 mm wide on the fourth side so that two such detector arrays can be placed side-by-side to form a roughly square sensor area with minimal dead area between them. Figure 1 shows two anode patterns. One pattern features larger pixel anode contacts, with a 30-m gap between them. The other pattern features smaller pixel anode contacts plus a contact for a shaping electrode in the form of a grid that separates all the pixels. In operation, the grid is held at a potential intermediate between the cathode and anode potentials to steer electric charges toward the anode in order to reduce the loss of charges in the inter-anode gaps. The CdZnTe photodetector array is mechanically and electrically connected to the ASIC (see Figure 2), either by use of indium bump bonds or by use of conductive epoxy bumps on the CdZnTe array joined to gold bumps on the ASIC. Hence, the output of each pixel detector is fed to its own amplifier chain