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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Permanent Magnets Featuring Heavy Main Group Elements for Magnetic Anisotropy

Permanent magnets are the functional component of electric motors and generators found in numerous renewable energy applications. To improve energy conversion in such applications, we require fundamentally new magnets that generate higher magnetic flux per volume while retaining the properties conferred by rare-earth elements incorporated into current technologies. We hypothesize that by engendering a covalent interaction between two elements, we can access a new regime of magnetic materials where the two components of a magnetic moment—spin and orbital angular momentum—come from two separate atoms to form a complete magnetic moment. Our previous research utilized high-pressure conditions to discover two new candidate materials ideal for assessing this hypothesis. The first material, FeBi 2 , enables the study of an unprecedented solid state metal-metal bonding interaction. The second, MnBi 2 represents the second member of the promising Mn–Bi family known for its magnetic properties. Importantly, MnBi 2 is isostructural to FeBi 2 . Together these chemically simple but magnetically rich materials provide an elegant platform for elucidating fundamental design principals of magnetic anisotropy while inspiring the synthesis of new magnetic materials. More generally, solid-state chemistry remains a synthetic black box. To fully harness the potential of such new materials, it is vital to create a window into both the structure and the properties of our high-pressure materials. One missing area of importance to energy science is high-pressure magnetometry. To this end, we assessed the magnetic structure of these materials through two objectives: (1) we performed magnetometry measurements at high-pressures, including performing high-pressure X-ray Magnetic Circular Dichroism (XMCD) experiments on these materials that are only synthesized at high-pressure and cannot be recovered to ambient conditions and (2) we targeted the recovery of these materials using dynamic compression approaches, starting with laser shock techniques. Future directions include expanding our focus to ternary phase space, employing high-throughput computational approaches to direct our search for magnetic materials across the Periodic Table. This award was originated at Northwestern, and reopened as a new grant at MIT. This is the close out for Northwestern.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1981

Effective path length corrections in beam-beam scattering experiments

The effect of the change of scattering geometry with scattering angle in beam-beam experiments is investigated. Atomic (molecular) target distributions associated with static gas, orifice, tube, capillary array (with and without further collimation), and jet sources have been considered in model calculations for a number of commonly used electron scattering geometries. The relationship between scattering intensity, cross section, and the geometrical integral called 'effective path length' is derived. Volume correction factors (the reciprocal of effective path length) have been calculated for sample cases to illustrate the effect of various beam and scattering geometry characteristics. The validity of the model calculation has been experimentally verified. Most of the commonly used scattering geometries require significant correction of the scattering intensity distributions, but with proper planning scattering geometries can be designed such that the intensity and the cross section angular distribution are identical within 1%.

Brinkmann, R. T.↗
DOE OSTI2015

Development of a process for remediation of enriched uranium coolant tanks at AWE Aldermaston - 14520

Machining processes involving Enriched Uranium (EU) at the UK Atomic Weapons Establishment have historically required the use of a liquid coolant to ensure product quality and to provide protection against hazards associated with ignition of the EU swarf in the non-inert gloved air box atmosphere. This coolant is typically provided by closed circuit re-circulating systems utilising large volume tanks to contain the bulk coolant. Small losses of EU to the coolant tank are experienced during the machining process leading to accumulation over time. This is expected and appropriate measures are put in place to control such accumulations to ensure criticality safety during the operational phase. The original design intent made no specific provision for recovery of the EU as it was not expected to be required based on the anticipated losses and design lifetime of the tanks. However, in support of ongoing operations it has become necessary to develop a process to remediate out of service coolant tanks to recover the EU and to replace the coolant and some of the end-of-life tank components. Detailed optioneering has been undertaken to develop a process that addresses all the relevant hazards, including nuclear criticality safety. Non-destructive assay techniques have been developed to help determine the inventory of EU present and consequently the level of control required during the remediation process. This has led to the selection of favourable geometry collection vessels that not only afford significant defence-in-depth against criticality hazards during the remediation work but also satisfy interim storage requirements. These vessels may also be of interest to other operators. This paper presents an overview of the history of operation of the coolant tanks and proposed remediation process and provides an overview of the criticality safety case that has been developed to support it. It is anticipated that the remediation work will be undertaken before 2019 allowing the findings and lessons learnt (including validation of non-destructive assay results on expected hold up) to be reported at the next ICNC. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2018

Co-dependent microstructural evolution pathways in metastable d-ferrite in cast austenitic stainless steels during thermal aging

Cast austenitic stainless steels (CASS) are excellent alloys because they combine high corrosion resistance with high strength and toughness. However, they are susceptible to embrittlement upon long-term thermal aging at elevated temperatures. Thus, the microstructural evolution pathways during thermal aging need to be understood to predict and potentially prevent embrittlement. Atom probe tomography was used to identify and quantify the microstructural evolution pathways of the d-ferrite in different CASS alloys aged for up to 10,000 hours at temperatures between 290 °C and 400 °C. The four steels – CF8, CF8M, CF3, and CF3M – which vary by Mo and C concentration, each experienced spinodal decomposition of the d-ferrite, and precipitation of G-phase clusters and Cu clusters attached to the G-phase. There were large differences in the extent of these features due to their Mo and C concentration. Using radial distribution function analysis, the interactions of constituent elements was found to determine the evolution of these features, with Mo and C specifically influencing the movement of Cr, Ni, Si, Mn, and Cu atoms due to their relative miscibility with these elements. The results will help inform predictive models for the use of duplex stainless steels for extended operation at high temperatures.

Duplex stainless steel, Aging, Spinodal decomposit↗
DOE OSTI2014

Multi-dimensional modelling of electrostatic force distance curve over dielectric surface: Influence of tip geometry and correlation with experiment

Electric Force-Distance Curves (EFDC) is one of the ways whereby electrical charges trapped at the surface of dielectric materials can be probed. To reach a quantitative analysis of stored charge quantities, measurements using an Atomic Force Microscope (AFM) must go with an appropriate simulation of electrostatic forces at play in the method. This is the objective of this work, where simulation results for the electrostatic force between an AFM sensor and the dielectric surface are presented for different bias voltages on the tip. The aim is to analyse force-distance curves modification induced by electrostatic charges. The sensor is composed by a cantilever supporting a pyramidal tip terminated by a spherical apex. The contribution to force from cantilever is neglected here. A model of force curve has been developed using the Finite Volume Method. The scheme is based on the Polynomial Reconstruction Operator—PRO-scheme. First results of the computation of electrostatic force for different tip–sample distances (from 0 to 600 nm) and for different DC voltages applied to the tip (6 to 20 V) are shown and compared with experimental data in order to validate our approach.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Theory meets experiment: Insights into structure and magnetic properties of Fe 1-x Ni x B alloy

Here, we studied the structural and magnetic properties of the solid solution Fe 1-x Ni x B through theoretical and experimental approaches. Powder X-ray diffraction, X-ray Pair Distribution Function analysis, and energy dispersive X-ray spectroscopy reveal that the Fe 1-x Ni x B solid solution crystallizes in the β-FeB structure type up to x = 0.6–0.7 and exhibits anisotropic unit cell volume contraction with increasing Ni concentration. Magnetic measurements showed a transition from ferromagnetism to paramagnetism around x = 0.7. For x = 0.5, the low (< 0.3 μ B ) magnetic moments suggest itinerant magnetism despite the relatively high Curie temperature (up to 225 K). Theoretical calculations indicated different types of magnetic orderings depending on the Fe/Ni atomic order, with the antiferromagnetic state being stable for ordered FeNiB 2 , whereas the ground state is ferromagnetic for the disordered alloy. Calculations also predicted the coexistence of low- and high-spin states in Fe atoms around the composition with x = 0.5, in line with the experimental evidence from 57 Fe Mössbauer spectroscopy. The two magnetically distinct Fe sites for x = 0.3, 0.4, and 0.5 observed by 57 Fe Mössbauer spectroscopy can also be interpreted as two magnetically different regions or clusters. The formation of these clusters could affect the critical behavior near a quantum magnetic transition based on a potential ferromagnetic quantum critical point identified computationally and experimentally near x = 0.64. This work highlights the complex interplay between structure and magnetism in Fe 1-x Ni x B alloys, suggesting areas for future research on quantum critical behavior.

Bhaskar, Gourab [Iowa State Univ., Ames, IA (Unite↗
DOE OSTI2020

The lattice parameter – composition relationship of the body centered cubic uranium-niobium alloys

In this paper, in-situ time-of-flight neutron diffraction experiments were performed on uranium-niobium alloy with 6 wt% Nb to study the lattice parameter-composition relationship for the body centered cubic (bcc) alloys. Based on lattice-parameter measurements of Nb-supersaturated γs phase over the range of 450 – 790 °C, an improved Vegard's-type relationship was established for determination of Nb concentrations at elevated temperatures. Neutron diffraction data were also collected as a function of aging time over the 450 - 600 °C range when γs phase decomposed isothermally into the mixture of orthorhombic α-U and Nb-rich bcc phase, as well as at room-temperature on the alloys aged ex-situ at 500 °C up to five years. From these measurements, the average Nb concentrations in the bcc phase were determined based on the Rietveld refinements of weight fraction and mass conservation relations (lever rule). Over the 15at% – 78at% range of Nb concentrations that correspond to different experimental aging times, the lattice parameters at constant temperatures exhibit a nonlinear S-shaped variation with Nb concentration, and the associated excess volumes of mixing can be described by a subregular solution model of the Redlich–Kister type of polynomial. Over the full range of composition the S-shaped deviation from Vegard's law can be modeled using a combination of an elastic continuum model and a perturbation to the radii of the solute atoms in the solvent, suggesting that electronic interactions between solute and solvent atoms could play an important role in the compositional dependence of lattice parameter for the γ-phase U-Nb alloys. While Vegard's law is a straightforward and reasonably good approximation for the bcc solid solutions in the U-Nb system, the Nb concentrations determined from the weight fraction refinements of diffraction data provide internally consistent, mass-conserving estimates of solute redistribution for the monotectoid reaction.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Theoretical investigation of Sn-doped Ge{sub 2}Sb{sub 2}Te{sub 5} alloy in crystalline phase

Ge{sub 2}Sb{sub 2}Te{sub 5} (GST) is technologically important for phase-change random access memory applications. It has been shown that the 2.2 atomic % doping of Sn weakens the Ge–Te bond strength while maintaining the symmetry of stable phase of GST. The influence of Sn doping upon the phase change characteristics of the crystalline GST alloy has been investigated by ab initio calculations. The lattice parameter, average interface distances between two adjacent (111) layers, equilibrium volume, metallic character and electrical resistance has been calculated for the stable phase of GST and Sn-doped GST.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Results from the Baksan Experiment on Sterile Transitions (BEST)

The Baksan Experiment on Sterile Transitions (BEST) was designed to investigate the deficit of electron neutrinos 𝜈𝑒 observed in previous gallium-based radiochemical measurements with high-intensity neutrino sources, commonly referred to as the “gallium anomaly,” which could be interpreted as evidence for oscillations between 𝜈𝑒 and sterile neutrino (𝜈 𝑠 ) states. A 3.414-MCi 51 Cr 𝜈 𝑒 source was placed at the center of two nested Ga volumes and measurements were made of the production of 71 Ge through the charged current reaction, 71 Ga ⁢(𝜈 𝑒 ,𝑒 − ) ⁢71 Ge, at two average distances. The measured production rates for the inner and the outer targets, respectively, are [54.9$^{+2.5}_{−2.4}$⁢(stat) ± 1.4⁢(syst)] and [55.6$^{+2.7}_{−2.6}$⁢(stat) ± 1.4⁢(syst)] atoms of 71 Ge/𝑑. The ratio (𝑅) of the measured rate of 71 Ge production at each distance to the expected rate from the known cross section and experimental efficiencies are 𝑅 in = 0.79 ± 0.05 and 𝑅 out = 0.77 ± 0.05. The ratio of the outer to the inner result is 0.97 ± 0.07, which is consistent with unity within uncertainty. The rates at each distance were found to be similar, but 20%–24% lower than expected, thus reaffirming the anomaly. Furthermore, these results are consistent with 𝜈 𝑒 → 𝜈 𝑠 oscillations with a relatively large Δ⁢𝑚 2 (>0.5 eV 2 ) and mixing sin 2 ⁡2⁢𝜃 (≈ 0.4).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2014

SU-E-J-48: Development of An Abdominal Compression Device for Respiratory Correlated Radiation Therapy

Purpose: The aim of this study is to develop the abdominal compression device which could control pressure level according to the abdominal respiratory motion and evaluate its feasibility. Methods: In this study, we focused on developing the abdominal compression device which could control pressure level at any point of time so the developed device is possible to use a variety of purpose (gating technique or respiratory training system) while maintaining the merit of the existing commercial device. The compression device (air pad form) was designed to be able to compress the front and side of abdomen and the pressure level of the abdomen is controlled by air flow. Pressure level of abdomen (air flow) was determined using correlation data between external abdominal motion and respiratory volume signal measured by spirometer. In order to verify the feasibility of the device, it was necessary to confirm the correlation between the abdominal respiratory motion and respiratory volume signal and cooperation with respiratory training system also checked. Results: In the previous study, we could find that the correlation coefficient ratio between diaphragm and respiratory volume signal measured by spirometer was 0.95. In this study, we confirmed the correlation between the respiratory volume signal and the external abdominal motion measured by belt-transducer (correlation coefficient ratio was 0.92) and used the correlated respiratory volume data as an abdominal pressure level. It was possible to control the pressure level with negligible time delay and respiratory volume data based guiding waveforms could be properly inserted into the respiratory training system. Conclusion: Through this feasibility study, we confirmed the correlation between the respiratory volume signal and the external abdominal motion. Also initial assessment of the device and its compatibility with the respiratory training system were verified. Further study on application in respiratory gated therapy and respiratory training system will be investigated. This work was supported by Radiation Technology R and D program (No. 2013M2A2A7043498)and Basic Atomic Energy Research Institute (BAERI)(No. NRF-2009-0078390) through the National Research Foundation of Korea funded by the Ministry of Science, ICT and Future Planning.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2018

Defect Structures of La{sub 1–y}Sr{sub y}F{sub 3–y}, La{sub 1–y}Ba{sub y}F{sub 3–y}, and Nd{sub 1–y}Ca{sub y}F{sub 3–y} (y = 0.05, 0.10) Nonstoichiometric Tysonite Phases

Characteristic features of defect structures of La{sub 1–y}Sr{sub y}F{sub 3–y}, La{sub 1–y}Ba{sub y}F{sub 3–y}, and Nd{sub 1–y}Ca{sub y}F{sub 3–y} (y = 0.05, 0.10) nonstoichiometric phases of different compositions are determined from X-ray diffraction data. Interest in subtle details of their structure is determined by the possibility of ion transport over fluorine vacancies and by a strong compositional dependence of the ionic conductivity. The La{sub 0.95}Sr{sub 0.05}F{sub 2.95}, La{sub 0.95}Ba{sub 0.05}F{sub 2.95}, and Nd{sub 0.95}Ca{sub 0.05}F{sub 2.95} phases, as well as the La{sub 0.9}Ba{sub 0.1}F{sub 2.9} phase, crystallize as β-LaF{sub 3} (sp. gr. P3̅c1, Z = 6). The La{sub 0.9}Sr{sub 0.1}F{sub 2.9} and Nd{sub 0.9}Ca{sub 0.1}F{sub 2.9} phases lose their superstructure and are described by a cell whose volume is three times smaller (sp. gr. P6{sub 3}/mmc, Z = 2). Defects of crystal structure R{sub 1–y}M{sub y}F{sub 3–y} are not exhausted by vacancies in fluorine positions. All crystals with a “large” cell are twinned according to the merohedral twin law. The majority of atomic positions in models with a “small” cell are split by group symmetry elements and are occupied statistically.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1992

Experiments with the low melting indium-bismuth alloy system

The following is a laboratory experiment designed to create an interest in and to further understanding of materials science. The primary audience for this material is the junior high school or middle school science student having no previous familiarity with the material, other than some knowledge of temperature and the concepts of atoms, elements, compounds, and chemical reactions. The objective of the experiment is to investigate the indium-bismuth alloy system. Near the eutectic composition, the liquidus is well below the boiling point of water, allowing simple, minimal hazard casting experiments. Such phenomena as metal oxidation, formation of intermetallic compound crystals, and an unusual volume increase during solidification could all be directly observed. A key concept for students to absorb is that properties of an alloy (melting point, mechanical behavior) may not correlate with simple interpolation of properties of the pure components. Discussion of other low melting metals and alloys leads to consideration of environmental and toxicity issues, as well as providing some historical context. Wetting behavior can also be explored.

Krepski, Richard P.↗
NASA NTRS1994

NASA Propulsion Engineering Research Center, Volume 2

This is the second volume in the 1994 annual report for the NASA Propulsion Engineering Research Center's Sixth Annual Symposium. This conference covered: (1) Combustors and Nozzles; (2) Turbomachinery Aero- and Hydro-dynamics; (3) On-board Propulsion systems; (4) Advanced Propulsion Applications; (5) Vaporization and Combustion; (6) Heat Transfer and Fluid Mechanics; and (7) Atomization and Sprays.

Source record↗
NASA NTRS2002

Entropically Driven Self-Assembly of Colloidal Crystals on Templates in Space

These experiments aim to create new colloidal crystalline materials, to study the assembly and thermodynamics of these materials, to measure the optical properties of these materials. and to fix the resulting structures so that they can be brought back and studied on earth. In microgravity, the elimination of particle sedimentation effects creates a purely "thermodynamic" environment for colloidal suspensions wherein particle size, volume fraction, and interparticle interactions are the primary determinants of the assembled structures. We will control the colloidal assembly process using attractive, entropic particle interactions brought about by the depletion effect. By using attractive interactions for colloidal assembly we create conditions for growth that resemble those associated with "conventional" microscopic systems such as atoms and molecules. This approach differs qualitatively from the more common "space-filling" mode of colloidal crystal growth that is driven purely by packing constraints. It is anticipated that at least some of the solidified structures will survive reentry to earth's gravitational field, and that their optical, magnetic, and electrical properties can then be studied in detail upon return.

Yodh, Arjun G.↗
DOE OSTI2020

Imaging Based Detector with Efficient Scintillators for Neutron Diffraction Measurements

The Anger Camera developed by the detector group at the Oak Ridge National Laboratory was utilized for the present work for its unique advantage of employing multiple modules to obtain large active measurement area for detecting diffracted/scattered thermal neutrons. Considering the relatively small flux associated with diffracted/scattered neutrons, suitable efficiency with high spatial resolution is a requirement for utilizing two-dimensional imaging detectors. The potential to implement pulse shape (in addition to pulse height) discrimination-based scintillators further enhances the ability to detect diffracted neutrons with improved signal to noise ratio. In this paper, initial results associated with 6Li glass-based scintillator will be presented. The authors explored the feasibility of using this system to detect and quantify diffraction peaks and peak shifts at the Neutron Residual Stress Facility (NRSF2), High Flux Isotope Reactor (HFIR) in the Oak Ridge National Laboratory (ORNL). Suitable camera mounting and shielding had to be developed. Reference measurements using polycrystalline powders with known atomic planar spacing will be discussed along with measurement settings associated with expected resolution for peak shift measurements. Initial results are promising and demonstrate that a suitable scintillation-based neutron detecting system is viable for residual stress-based diffraction measurements. Small area detectors are also feasible with suitable consideration to scattering volume and distance to detector.

Seals, Matthew↗
DOE OSTI2017

CCN activity and organic hygroscopicity of aerosols downwind of an urban region in central Amazonia: Seasonal and diel variations and impact of anthropogenic emissions

During the Observations and Modeling of the Green Ocean Amazon (GoAmazon2014/5) campaign, size-resolved cloud condensation nuclei (CCN) spectra were characterized at a research site (T3) 60km downwind of the city of Manaus, Brazil, in central Amazonia for one year (12 March 2014 to 3 March 2015). Particle hygroscopicity (κCCN) and mixing state were derived from the size-resolved CCN spectra, and the hygroscopicity of the organic component of the aerosol (κorg) was then calculated from κCCN and concurrent chemical composition measurements. The annual average κCCN increased from 0.13 at 75 nm to 0.17 at 171&thinsp;nm, and the increase was largely due to an increase in sulfate volume fraction. Also, during both wet and dry seasons, κCCN, κorg, and particle composition under background conditions exhibited essentially no diel variations. The constant κorg of ~0.15 is consistent with the largely uniform and high O:C value (~0.8), indicating that the aerosols under background conditions are dominated by the aged regional aerosol particles consisting of highly oxygenated organic compounds. For air masses strongly influenced by urban pollution and/or local biomass burning, lower values of κorg and organic O:C atomic ratio were observed during night, due to accumulation of freshly emitted particles, dominated by primary organic aerosol (POA) with low hygroscopicity, within a shallow nocturnal boundary layer. The O:C, κorg, and κCCN increased from the early morning hours and peaked around noon, driven by the formation and aging of secondary organic aerosol (SOA) and dilution of POA emissions into a deeper boundary layer, while the development of the boundary layer, which leads to mixing with aged particles from the residual layer aloft, likely also contributed to the increases. The hygroscopicities associated with individual organic factors, derived from PMF analysis of AMS spectra, were estimated through multi-variable linear regression. For the SOA factors, the variation of the κ value with O:C agrees well with the linear relationship reported from earlier laboratory studies of SOA hygroscopicity. On the other hand, the variation in O:C of ambient aerosol organics is largely driven by the variation in the volume fractions of POA and SOA factors, which have very different O:C values. As POA factors have hygroscopicity values well below the linear relationship between SOA hygroscopicity and O:C, mixtures with different POA and SOA fractions exhibit a steeper slope for the increase of κorg with O:C, as observed during this and earlier field studies. Our finding helps better understand and reconcile the differences in the relationships between κorg and O:C observed in laboratory and field studies, therefore providing a basis for improved parameterization in global models, especially in a tropical context.

54 ENVIRONMENTAL SCIENCES↗