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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

PUFFIn – A user friendly fast interface for calculating and visualizing the dose distribution in materials

This article describes a new graphical user interface that uses the PENELOPE Monte Carlo code to calculate dose distributions in materials. It is named PUFFIn, for the Penelope User-Friendly Fast Interface and was developed as an educational and scoping analysis tool for non-experts in radiation modeling. PUFFIn enables the user to visualize and compare the dose distributions in objects (e.g., sterilized healthcare products) irradiated with cobalt-60 gamma-rays, electron beam (E-beam) or X-rays. From such comparisons, the user can determine the most efficient product and/or packaging designs for any given radiation field – whether for conceptual or existing products and packaging. PUFFIn is distributed in a complete, self-contained package of software, including the PENELOPE radiation transport code, a standard graphics package, and a set of simple exercises. The package is available to any user at no cost and requires a minimal amount of training compared to other similar software. PUFFIn's capabilities are described, as well as validation measurements performed at Texas A&M University E-beam facility and the Aerial E-beam Facility in France.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2002

Simulations of Ground and Space-Based Oxygen Atom Experiments

Fast, pulsed atomic oxygen sources are a key tool in ground-based investigations of spacecraft contamination and surface erosion effects. These technically challenging ground-based studies provide a before and after picture of materials under low-earth-orbit (LEO) conditions. It would be of great interest to track in real time the pulsed flux from the source to the surface sample target and beyond in order to characterize the population of atoms and molecules that actually impact the surface and those that make it downstream to any coincident detectors. We have performed simulations in order to provide such detailed descriptions of these ground-based measurements and to provide an assessment of their correspondence to the actual LEO environment. Where possible we also make comparisons to measured fluxes and erosion yields. To perform the calculations we use a detailed description of a measurement beam and surface geometry based on the W, pulsed apparatus at Montana State University. In this system, a short pulse (on the order of 10 microseconds) of an O/O2 beam impacts a flat sample about 40 cm downstream and slightly displaced &om the beam s central axis. Past this target, at the end of the beam axis is a quadrupole mass spectrometer that measures the relative in situ flux of 0102 to give an overall normalized erosion yield. In our simulations we use the Direct Simulation Monte Carlo (DSMC) method, and track individual atoms within the atomic oxygen pulse. DSMC techniques are typically used to model rarefied (few collision) gas-flows which occur at altitudes above approximately 110 kilometers. These techniques are well suited for the conditions here, and multi-collision effects that can only be treated by this or a similar technique are included. This simulation includes collisions with the surface and among gas atoms that have scattered from the surface. The simulation also includes descriptions of the velocity spread and spatial profiles of the O/O2 beam obtained from separate measurements. These computations use basic engineering models for the gas-gas and gas-surface scattering and focus on the influence of multi-collision effects. These simulations characterize many important quantities of interest including the actual flux of atoms that reach the surface, the energy distribution of this flux, as well as the direction of the velocity of the flux that strikes the surface. These quantities are important in characterizing the conditions which give rise to measured surface erosion. The calculations also yield time- snapshots of the pulse as it impacts and flows around the surface. These snapshots reveal the local environment of gas near the surface for the duration of the pulse. We are also able to compute the flux of molecules that travel downstream and reach the spectrometer, and we characterize their velocity distribution. The number of atoms that reach the spectrometer can in fact be influenced by the presence of the surface due to gas-gas collisions from atoms scattered h m the surface, and it will generally be less than that with the surface absent. This amounts to an overall normalization factor in computing erosion yields. We discuss these quantities and their relationship to the gas-surf$ce interaction parameters. We have also performed similar calculations corresponding to conditions (number densities, temperatures, and velocities) of low-earth orbit. The steady-state nature and lower overall flux of the actual space environment give rise to differences in the nature of the gas-impacts on the surface from those of the ground-based measurements using a pulsed source.

Minton, T. K.↗
NASA NTRS1984

The STEP/STACBEAM experiment technology development for very large solar array deployers

The Stacking Triangular Articulated Compact Beam (STACBEAM) is discussed with reference to structural testing experiments afforded by ground simulation and the Space Technology Experiments Platform (STEP). The STACBEAM lends itself to a deployment technique which offers a radical improvement in flexible blanket solar array technology. A system for deployment and support of a solar array blanket is described which consists of the blanket, its containment structure, the support structure and its deployer, the blanket stiffening battens, and the deployable boom standoffs. In operation, the blanket is pulled out and supported by the STACBEAM which packages next to the folded blanket. Since the STACBEAM does not rotate during extension, complete control of the blanket is maintained during extension. Deployment of this system occurs one bay at a time in a sequential manner. The deployer provides sufficient rigidity so that beam stiffness is not degraded during the deployment process.

Samuels, R.↗
NASA NTRS1983

Numerically simulated two-dimensional auroral double layers

A magnetized 2 1/2-dimensional particle-in-cell system which is periodic in one direction and bounded by reservoirs of Maxwellian plasma in the other is used to numerically simulate electrostatic plasma double layers. For the cases of both oblique and two-dimensional double layers, the present results indicate periodic instability, Debye length rather than gyroradii scaling, and low frequency electrostatic turbulence together with electron beam-excited electrostatatic electron-cyclotron waves. Estimates are given for the thickness of auroral doule layers, as well as the separations within multiple auroral arcs. Attention is given to the temporal modulation of accelerated beams, and the possibilities for ion precipitation and ion conic production by the double layer are hypothesized. Simulations which include the atmospheric backscattering of electrons imply the action of an ionospheric sheath which accelerates ionospheric ions upward.

Borovsky, J. E.↗
DOE OSTI2022

Understanding and controlling capsule symmetry in near vacuum hohlraums at the National Ignition Facility

The near vacuum hohlraum platform is an inertial confinement fusion design at the National Ignition Facility (NIF) that uses the lowest practical density of helium gas of 30 μg/cc to fill the hohlraum, which is ten times lower than now used routinely. This has several advantages, such as high laser coupling; however, the inability to understand and simulate the symmetry of the imploded capsule has limited the use of this platform. This work presents the first simulations that are able to accurately capture the highly prolate implosion seen experimentally without unphysical, ad hoc model changes. While previous investigations attributed this asymmetry to multi-species interpenetration in the hohlraum, we find that this alone has little effect on symmetry. Instead, it is the presence of crossed-beam energy transfer (CBET), occurring with no applied wavelength shift between the laser beams, that increases the laser power to the inner cones and causes a more prolate implosion. The effect of CBET is increased in the simulation model when the hohlraum laser entrance hole hardware is included. Using this understanding, CBET is exploited by shifting the inner-beam wavelength by –0.75 Å (at 1ω) with respect to the outer-beams. This transfers laser power to the outer-beams in contrast to positive wavelength shifts as done routinely on NIF and produces a round capsule implosion in our simulations. Furthermore, this work shows the possibility of the near vacuum hohlraum as a viable experimental platform.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1992

On the termination of the closed field line region of the magnetotail

Experimental models and global computer simulations are used to study the field structure and location of the site where the closed plasma sheet terminates. The site - also called the 'distant neutral line' - is described with references to several solar-wind parameters that can change its characteristic properties. A laboratory experiment is then conducted in which a flowing magnetized plasma beam interacts with a dipole field. High-latitude nightside reconnection is supported by the simulation results comparing the effects of northward and southward interplanetary fields. The results support the models by Dungey (1961, 1963) that predict high-latitude nightside reconnection and an open magnetosphere. A significant finding is that a magnetic neutral line at the closed-field line region is not a necessary component of the region.

Birn, J.↗
DOE OSTI2024

Nonlinear simulations of GAEs in NSTX-U

A set of nonlinear simulations has been performed in order to study the nonlinear evolution of unstable global Alfvén eigenmodes in the National Spherical Torus Experiment-Upgrade (NSTX-U). Results of the single toroidal mode number, n, simulations are compared with a full nonlinear simulation (all toroidal harmonics included). In single-n simulations, the conservation of two integrals of motion of a particle in a cyclotron resonance with a monochromatic wave is demonstrated, resulting in a one-dimensional evolution of the particle distribution in (E,μ,pϕ) phase-space. Nonlinear simulations (both single-n and full nonlinear) show a significant redistribution of the resonant fast ions, especially in the pitch parameter. Thus, the changes in the resonant particle's parallel and perpendicular energies can be several times larger than the total particle energy change, with only a small fraction transferring into the excitation of the mode itself. This implies that even a relatively small amplitude mode can significantly modify the beam distribution in the resonant region. For the NSTX-U case considered, the single-n simulation results are close to full nonlinear simulation only for the most unstable mode, in which case the saturation amplitudes and changes in the fast ion distribution are comparable. In contrast, peak amplitudes of subdominant modes in all-n simulations are smaller by a factor of 3–10 compared to single-n runs due to the flattening of the beam ion distribution by the fastest growing mode.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2018

Computational Model Prediction and Biological Validation Using Simplified Mixed Field Exposures for the Development of a GCR Reference Field

The yield of chromosomal aberrations has been shown to increase in the lymphocytes of astronauts after long-duration missions of several months in space. Chromosome exchanges, especially translocations, are positively correlated with many cancers and are therefore a potential biomarker of cancer risk associated with radiation exposure. Although extensive studies have been carried out on the induction of chromosomal aberrations by low- and high-LET radiation in human lymphocytes, fibroblasts, and epithelial cells exposed in vitro, there is a lack of data on chromosome aberrations induced by low dose-rate chronic exposure and mixed field beams such as those expected in space. Chromosome aberration studies at NSRL will provide the biological validation needed to extend the computational models over a broader range of experimental conditions (more complicated mixed fields leading up to the galactic cosmic rays (GCR) simulator), helping to reduce uncertainties in radiation quality effects and dose-rate dependence in cancer risk models. These models can then be used to answer some of the open questions regarding requirements for a full GCR reference field, including particle type and number, energy, dose rate, and delivery order. In this study, we designed a simplified mixed field beam with a combination of proton, helium, oxygen, and iron ions with shielding or proton, helium, oxygen, and titanium without shielding. Human fibroblasts cells were irradiated with these mixed field beam as well as each single beam with acute and chronic dose rate, and chromosome aberrations (CA) were measured with 3-color fluorescent in situ hybridization (FISH) chromosome painting methods. Frequency and type of CA induced with acute dose rate and chronic dose rates with single and mixed field beam will be discussed. A computational chromosome and radiation-induced DNA damage model, BDSTRACKS (Biological Damage by Stochastic Tracks), was updated to simulate various types of CA induced by acute exposures of the mixed field beams used for the experiments. The chromosomes were simulated by a polymer random walk algorithm with restrictions to their respective domains in the nucleus [1]. The stochastic dose to the nucleus was calculated with the code RITRACKS [2]. Irradiation of a target volume by a mixed field of ions was implemented within RITRACKs, and the fields of ions can be delivered over specific periods of time, allowing the simulation of dose-rate effects. Similarly, particles of various types and energies extracted from a pre-calculated spectra of galactic cosmic rays (GCR) can be used in RITRACKS. The number and spatial location of DSBs (DNA double-strand breaks) were calculated in BDSTRACKS using the simulated chromosomes and local (voxel) dose. Assuming that DSBs led to chromosome breaks, and simulating the rejoining of damaged chromosomes occurring during repair, BDSTRACKS produces the yield of various types of chromosome aberrations as a function of time (only final yields are presented). A comparison between experimental and simulation results will be shown.

Hada, M.↗
DOE OSTI2023

Conjugate Heat Transfer Analysis in Pressurized Helium Gas Cooling Channels

Los Alamos National Laboratory (LANL) is working with NorthStar Medical Radioisotopes (NMR) on their efforts to produce Mo-99 from the irradiation of Mo-100 targets. The NMR target consists of an Inconel window that allows the electron beam to penetrate and irradiate a stack of Mo-100 disks. The irradiation process generates large amounts of heat and is cooled using pressurized helium gas flowing at 400 g/s. LANL provides both numerical analysis support and experimental support. Computational fluid dynamics (CFD) and conjugate heat transfer (CHT) analysis are performed on the NMR target to analyze the helium flow and volumetric heating through the NMR system. In this iteration of numerical analysis, we update the Mo-100 disk thickness to 0.74 mm and the gap between the Inconel window and the first disk to 0.69 mm. Estimates of the heat flux from the electron beams from Monte Carlo N-Particle code (MCNP) analysis were combined with CFD to perform the CHT analysis. The pressure drop through the targets, force applied on the first disk, beam window and target disk temperatures are some of the quantities estimated using the simulations. The pressure drop through the target was estimated as 0.198 MPa, while the force due to venturi effects across the first disk was estimated to be 100 N. The results show maximum window temperatures over 600 °C and peak disk temperatures over 1600 °C. Past work has shown that beyond 650-700 °C, the Inconel window becomes susceptible to yield and rupture. The increased temperature in these results reduces the margin of error possible on beam spot size. The disk temperatures showed a sinusoidal distribution with the 6 th – 8 th disk from each window exhibiting highest disk temperatures. The peak temperature of the stainless steel housing was close to 316 °C and that of the laminations and spacers was approximately 582 °C.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Editorial announcements and information — ICFA Beam Dynamics Newsletter No. 85

This is a general information article of the ICFA Beam Dynamics Newsletter No. 85. It contains foreword from the Editor-in-Chief and the issue editor, a workshop and conference report section, a recent Ph.D. thesis section, a forthcoming beam dynamics events section, and a section of announcements from the beam dynamics panel.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Evidence of restricted heat transport in National Ignition Facility Hohlraums

We present experimental evidence of restricted electron thermal conduction in the high-Z coronal plasma regions of laser-driven Hohlraums on the National Ignition Facility. Four separate measurements, three of which are direct observations of Hohlraum dynamics, corroborate this finding. (1) The velocity of the coronal plasma ablated and heated by the outer-cone laser beams is determined by time-dependent imaging of the gold plasma plume, or “bubble.” The velocities of the incoming plume (perpendicular to the Hohlraum axis) are consistent with high-fidelity 2D radiation-hydrodynamic simulations using flux-limited thermal electron conduction with a flux multiplier f = 0.03. Simulations using f = 0.15, which is very nearly classical Spitzer–Härm transport, predict plume velocities slower than measured. (2) Specific features in time-resolved images of the Hohlraum wall at an angle of 19° are also more consistent with f = 0.03 simulations compared to f = 0.15. (3) Spectroscopic tracers were added to the Hohlraum wall in the outer-beam bubble region. The ratios of hydrogen-like to helium-like line emission are sensitive to the electron temperature of the bubble. The hydrogen-like to helium-like ratios extracted from the time-integrated spectra of manganese and cobalt tracers from two observation angles are consistent with f = 0.03 and not with f = 0.15. (4) The time of peak capsule emission, or “bang time,” an integrated measurement, is also more consistent with f = 0.03 than with f = 0.15. Overall, while these findings do not identify the causes of restricted thermal conduction in Hohlraums, they motivate future experiments to test specific hypotheses and focus on model development in the regions of the plasma exhibiting restricted transport.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Specular reflections (“glint”) of the inner beams in a gas-filled cylindrical hohlraum

Herein we report on the experimental measurement of specular reflection (“glint”) of laser beams off the hohlraum wall in inertial confinement fusion experiments at the National Ignition Facility. In a hohlraum, glinted light can escape the opposite laser entrance hole of the hohlraum and is a potential laser energy loss mechanism. The total measured glint on the inner cones of beams is measured to be less than 8 TW (when using the full National Ignition Facility laser), which is <2% of incident peak power. The simulated x-ray flux exceeds the measurement by 10%–20%, and glinted laser light is unable to account for this discrepancy. Similar inner beam glint was measured for ρ = 0.3 and 0.6 mg/cc gas fill hohlraums, but no glint was detected for 1.2 mg/cc densities. Inner beam glint is dominated by the lowest angle 21.5 beams within a 23.5 quad, and it is at most 30% sensitive to different quad polarization arrangements.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1992

A statistical model for evaluating GOPEX uplink performance

This article describes a statistical model to analyze the signal intensity received at the solid-state imaging (SSI) camera of the Galileo optical communications system from an Earth-based transmitter (GOPEX) demonstration. The analytical model assumes that the optical beam possesses a Gaussian profile and the communication channel has a log-normal scattering characteristic. The atmospheric-induced jitter is modelled as two independent zero mean Gaussian random variables. By modelling the system parameters as a set of independent and identically distributed (iid) random variables, the combined impact of uncertainties due to system parameters and the turbulent atmosphere can be approximated by a log-normal distributed signal intensity at the spacecraft. A Monte-Carlo software simulation package was also developed to compute the confidence interval probabilities for general optical beam profiles. Numerical results show that the approximation is valid for a wide range of operation scenarios.

Kiesaleh, K.↗
DOE OSTI2024

Heavy ion beam probe for Wendelstein 7-X measurement capabilities as projected through its design

A heavy ion beam probe (HIBP) diagnostic is being developed for studies of plasma equilibrium and turbulence in the optimized Wendelstein 7-X (W7-X) stellarator. Operation of W7-X has experimentally demonstrated that its optimized magnetic field results in improved neoclassical particle confinement and, as a result, turbulence is the predominant cause of energy transport. The HIBP will have the unique ability to provide experimental data needed to complement models of both neoclassical and turbulent transport. It will acquire direct measurements in the W7-X plasma interior of the electric potential (needed for understanding ambipolar particle flux) and fluctuations of electron density and potential (needed for understanding turbulence). The HIBP for W7-X will inject singly charged ion beams with energies of up to 2 MeV and is designed to access the upper cross section of the W7-X plasma. We use trajectory simulations to illustrate the plasma coverage that the diagnostic can achieve in the reference magnetic configurations of W7-X. We calculate beam signal levels, discuss anticipated measurement sensitivity of broadband fluctuations of electron density and plasma potential, and show how they depend on plasma density. We also discuss the diagnostic sensitivity to equilibrium plasma potential.

Instruments & Instrumentation↗
DOE OSTI2023

High Power Targetry R&D and support for future generation accelerator

A high-power target system is a key beam element to complete future High Energy Physics (HEP) experiments. The target endures high power pulsed beam, leading to high cycle thermal stresses/pressures and thermal shocks. The increased beam power will also create significant challenges such as corrosion and radiation damage that can cause harmful effects on the material and degrade their mechanical and thermal properties during irradiation. This can eventually lead to the failure of the material and drastically reduce the lifetime of targets and beam intercepting devices. Designing a reliable target is already a challenge for MW class facilities today and has led several major accelerator facilities to operate at lower power due to target concerns. With present plans to increase beam power for next generation accelerator facilities in the next decade and the multi-year time-scale to acquire the knowledge on material behavior under such extreme environment, timely R&D of robust high-power targets is critical to fully secure the physics benefits of ambitious accelerator power upgrades. The next generation of high-power targets for future accelerators will use more complex geometries, novel materials, and new concepts allowing better high heat flux cooling methods. Advanced numerical simulations need to be developed to satisfy the physical design requirements of reliable beam-intercepting devices. In parallel, radiation hardened beam instrumentation irradiation methods for high-power targets must be further developed. Additional irradiation facilities are needed since only a few facilities worldwide offer beams for target testing, and the beam provided may not be appropriate for the specific facility or project. Thus, a comprehensive research and development program must be implemented to address the challenges that multi-MW targets face.

Pellemoine, F.↗
DOE OSTI2024

Novel Instrumentation for Advanced Quantum Chromodynamics Studies with Flavor Sensitivity

The true nature of ordinary matter has always fascinated humankind, whose imagination has been pointed to the right direction since the 5th century BC with the first known atomic theory by Leucippus and Democritus. They described the matter as formed by small, invisible, indivisible, and eternal particles: the atoms. A long investigation followed them, including contributions from several of history?s greatest philosophers and scientists. The progress led to the understanding that atoms have an internal structure consisting of a central nucleus composed of protons and neutrons, surrounded by a cloud of electrons. About 50 years ago, scientists discovered that nucleons also have an internal structure. Through the Deep Inelastic Scattering (DIS) experiments, on which a lepton is scattered off a nucleon, it was possible to access the distribution of partons inside the nucleon along the longitudinal direction defined by the hard-scale probe. It was a crucial step in developing Quantum Chromodynamics (QCD), currently the best theory describing the subatomic matter. Ultimately, DIS was recognized as a limited tool to investigate the nucleon structure because it is mainly sensitive to observables at the probe?s energy scale. In recent decades, theoretical developments have allowed defining soft-scale observables by measuring more complex processes. Reactions such as Semi-Inclusive Deep Inelastic Scattering (SIDIS) with single or di-hadron production, can provide information about the momentum of parton inside the nucleon. In particular, polarized SIDIS allows access to the Transverse-Momentum-Dependent (TMD) parton distributions describing the correlations of the quark and gluon degrees of freedom in transverse momentum and spin. This study can provide three-dimensional imaging of nucleon structure and inner dynamics, as long as the hadronic component in the final state can be measured. Identifying the species of the produced particles provides information on the quark flavor and assumes a crucial role in this context. The thesis describes the work carried out by the author in preparing novel instrumentation for particle identification in the final state of DIS experiments, to support modern analysis of the parton dynamics within the basic confined object (nucleon) with flavor sensitivity. The work has been focused on the CLAS12 spectrometer in operation at Jefferson Laboratory (JLab), Newport News, VA, USA, and the ePIC experiment in preparation for the future Electron-Ion Collider (EIC) at Brookhaven National Laboratory (BNL), Long Island, NY, USA. CLAS12 is a fixed-target experiment using a 12 GeV beam of polarized electrons scattering off polarized nuclear targets. In 2018 and 2022, two Ring Imaging Cherenkov (RICH) detector modules were installed to improve the ?±/K± separation in the high-momentum region (3÷8 GeV/c) of the experiment. The author contributed to the assembly, installation, and com- missioning of the second RICH module, to the efficiency studies of the first module, and to the first SIDIS analysis with high-momentum kaons identified by the RICH. These studies led to the observation of the first spin asymmetry with high-momentum kaons from the CLAS12 experiment, and an initial assessment of the systematic error associated with the hadron identification. ePIC will be the first experiment at the future EIC, the new collider designed to expand the frontiers of QCD. The author was involved in the development of the dual-radiator Ring Imaging Cherenkov (dRICH). This detector will interpolate the measurements of the Cherenkov angles of photons produced by relativistic particles crossing two different radiators to identify charged hadrons. The author contributed to the studies conducted with the dRICH prototype, developing the reconstruction and analysis software and simulations, characterizing the aerogel radiator samples, and being responsible for the tracking system used during the beam tests. The performance obtained by the prototype has been progressively improved and the results are now comparable with the expectation derived from the simulation and satisfy the requirements of the experiment. In Chapter 1, the SIDIS theory is briefly introduced, outlying the connection with the experimental measurement. Chapter 2 includes the description of the CLAS12 RICH, its assembly and installation, and the efficiency study. In Chapter 3, the analysis of the Beam-Spin Asymmetry associated with SIDIS kaons is described. Chapter 4 describes the contribution to the dRICH for EIC, starting from a description of the ePIC experiment and focusing on the studies performed for the dRICH prototype. The conclusions of this work are summarized at the end.

Vallarino, Simone↗
DOE OSTI2022

Broadband impedance modeling and single bunch instabilities estimations of the advanced light source upgrade project

We report the Advanced Light Source Upgrade (ALS-U) is a 4th generation diffraction-limited soft x-ray radiation source, consisting of a new accumulator ring (AR) and a new storage ring (SR). In both rings coupling-impedance driven instabilities need careful evaluation to ensure meeting the machine’s high-performance goals. This paper presents the workflow followed in building the impedance models and the beam-stability analysis based on those models. We follow the commonly accepted approach of separating the resistive-wall and the geometric parts of the impedance; the former is obtained by analytical formulas, the latter by numerical electro-magnetic codes (primarily CST Studio software) with perfectly-conducting boundary conditions. Impedance budgets are established and pseudo-Green functions calculated to be used in beam dynamics studies. We also present various ways to cross-check simulation results for reliable impedance modeling. Finally, the crucial single-bunch instability current thresholds for various operation modes are determined and discussed.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2020

Using Atom Dynamics to Map the Defect Structure Around an Impurity in Nano-Hematite

The geochemical cycling of actinides such as U is strongly controlled by Fe (oxyhydr)oxides. Indeed, the strong affinity of these minerals for U has factored into the design of geologic repositories for the long-term storage of nuclear waste. Many decades of work have focused on detailing the local coordination environment U associated with hematite (a-Fe2O3), a common and stable Fe(III) oxide, in order to better predict the fate and transport of U in the sub-surface. Here, for the first time, molecular dynamic simulations and atomically resolved electron microscopy of uranium atom mobility under the beam were used to map the topology of defect clusters surrounding structurally incorporated U in hematite. The ability to observe vacancies by means of metal atom hopping can be used to directly probe defects in other materials, with promising applications in geochemistry and materials science.

Ilton, Eugene S.↗