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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

High-precision shock equation of state measurements for metallic fluid carbon between 15 and 20 Mbar

Diamond is an efficient ablator material to convert the energy of high-power giant lasers into ablation pressure with applications for High-Energy-Density (HED) science, planetary science, and Inertial Confinement Fusion (ICF) research at the National Ignition Facility (NIF). Unfortunately, current theoretical equation of state models cannot reproduce all the observed experimental data in the multi-megabar regime particularly relevant for HED and ICF research. New experimental data on the behavior of carbon at extreme pressures and temperatures are, therefore, essential to improve our predictive capability to design and analyze dynamic compression experiments for HED or ICF research and build improved equation of state models in the future. In this paper, we report high-precision laser-driven shock compression measurements on diamond single crystals at the Omega Laser Facility. Using ultrafast Doppler optical Velocimetry Interferometer System for Any Reflector (VISAR) to track the leading shock front and a quartz plate as an in situ reference, we obtain relative pressure-density shock equation-of-state measurements between 15 and 20 Mbar with an impedance-matching procedure. We also report shock-and-release measurements in a spherical geometry at the NIF. The new data provide tight constraints on the compressibility of warm dense carbon along the Hugoniot of full density diamond, allowing us to discriminate between existing theoretical equation-of-state models. We find that both LLNL LEOS 9061 and LANL Sesame 7835 models capture well the shock compressibility in the explored range. LANL Sesame 7835 also reproduces well the observed shock-and-release behavior of diamond near 10–20 Mbar.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Nitridation of atomically smooth (111) diamond surfaces using a low temperature Penning plasma discharge

Diamond is a material with a wide band gap that can host a variety of isolated paramagnetic defects, called “color centers”1. These color centers have attractive optical and magnetic properties suitable for quantum applications including quantum computing, nanophotonics and quantum sensing. The most common one is the negatively charged nitrogen vacancy (NV) color center. For quantum sensing, it is desirable to reduce the distance between the NV center and the analyte by using shallow color centers in order to increase sensitivity. In this context, the diamond surface termination is especially critical. The appropriate surface termination is required to stabilize the color centers and mitigate surface magnetic noise. The nitrogen termination of diamond has been postulated as highly desirable for the NV color center. The goal of this project is to take advantage of an electron beam-generated ExB low temperature plasma developed by the Princeton Collaborative Low Temperature Plasma Research Facility (PCRF) at the Princeton Plasma Physics Laboratory (PPPL) to nitridate the surface of (100) diamond single crystals with minimal surface damage. In this reactor, the use of a magnetized plasma enables gentle processing of materials sensitive to ion damage. This is in strong contrast to radiofrequency plasma processing reactors which are known to etch and sputter the surface. XPS measurements indicate the incorporation of nitrogen and oxygen atoms at the surface in similar amounts. XAS measurements confirm the nitridation and indicate that the nitrogen termination is different from the nitrogen termination obtained using radiofrequency plasma treatment4. The combination of these results indicates the formation of amid species at the (100) diamond surface that are promising for the stabilization of NV centers for quantum sensing.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Systematic discovery of new nano-scale metastable intermetallic eutectic phases in laser rapid solidified Aluminum-Germanium alloy

Laser surface remelting of as-cast Al-Ge eutectic alloy is shown to produce ultrafine lamellar eutectic morphology with interlamellar spacing refined up to ∼60 nm and composed of FCC Al solid solution and unusual Al x Ge y intermetallic phases that do not form during near-equilibrium solidification. The microstructures are characterized and analyzed using a combination of selected area electron diffraction, high-resolution scanning transmission electron microscopy, energy dispersive X-ray spectroscopy to obtain high-resolution elemental maps, and atomistic modeling using density functional theory followed by atomic-scale image simulation. Depending on the local solidification conditions, the crystallography of the Al x Ge y intermetallic phases in the eutectic microstructure is either monoclinic (C 2/c) or monoclinic (P 2 1 ), with high densities of defects in both cases. This is in sharp contrast to the as-cast alloys that showed nominally pure Al and Ge phases with significant solute partitioning and equilibrium FCC and diamond cubic crystal structures, respectively. Corresponding kinetic phase diagrams are proposed to interpret the evolution of nano-lamellar eutectic morphologies with equilibrium Al and metastable Al x Ge y phases, and to explain increased solid solubility in the Al phases manifested by precipitation of ultrafine clusters of Ge. Furthermore, the reasons for the formation of these metastable eutectics under laser rapid solidification are discussed from the perspective of the competitive growth criterion.

Al-Ge eutectic↗
DOE OSTI2025

Polymorphic Control of CsGaE 2 (E = S, Se) Using Diorganyl Dichalcogenide Precursors

Diorganyl dichalcogenides (R–E–E–R; R = organyl, E = S, Se, Te) are widely employed for the polymorphic control of diamond-like crystal structures owing to their tunable C–E bond reactivity. In this work, we extend their application to non-close-packed alkali metal-based chalcogenides by demonstrating the selective synthesis of CsGaE 2 (E = S, Se) polymorphs. Weaker C–E bonds or higher temperatures promote the formation of the thermodynamically stable mC64 phases, while stronger C–E bonds or lower temperatures allow for the isolation of the metastable mC16 phases. Furthermore, heat-treatment studies reveal the pronounced metastability of CsGaSe 2 -mC16 particles and the irreversible phase transition of CsGaS 2 analogous to its bulk counterpart.

Cancer↗
DOE OSTI2020

Pressure-induced crystallization of an amorphous martensite alloy

Recently, solid-state amorphization through temperature-induced martensitic transition has been reported. The stability of the amorphous martensite phase, which co-exists with a crystalline counterpart, is intriguing but remains ill-defined. In this work, we studied the structural stability of a Ti 59.1 Zr 37 Cu 2.3 Fe 1.6 amorphous martensite alloy by combining in situ high-pressure synchrotron x-ray diffraction with ex situ transmission electron microscopy. During compression at room temperature, an irreversible pressure-induced crystallization of the amorphous martensite phase into a β-Ti phase is revealed. Qualitative analysis reveals the important role of the local atomic strain in stabilizing/destabilizing amorphous martensite alloys and its high tunability of the local atomic strain under high pressure.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Phase field modeling of dislocations and obstacles in InSb

We present a phase-field dislocation dynamics (PFDD) model informed by first-principle calculations to elucidate the competitive dislocation nucleation and propagation between the glide and shuffle sets in InSb diamond cubic crystal. The calculations are directly informed with generalized stacking fault energy curves on the (111) slip plane for both the “glide set,” with the smaller interplanar spacing, and the “shuffle set,” with the larger interplanar spacing. The formulation also includes elastic anisotropy and the gradient term associated with the dislocation core. The PFDD calculations show that under no stress the equilibrium structure of screw glide set dislocations dissociates into Shockley partials, while those of the shuffle set dislocations do not dissociate, remaining compact. The calculated dislocation core widths of these InSb dislocations agree well with the measured values for other semiconductor materials, such as Si and GaN. We find that a shuffle set dislocation emits from a dislocation source at an applied stress about three times smaller than that needed to emit leading and trailing partials successively on the glide set plane. Once the partial dislocations in the glide set are emitted, they propagate faster than the shuffle set perfect dislocation at the same stress level.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Brilliant angle-independent structural colours preserved in weevil scales from the Swiss Pleistocene

Extant weevils exhibit a remarkable colour palette that ranges from muted monochromatic tones to rainbow-like iridescence, with the most vibrant colours produced by three-dimensional photonic nanostructures housed within cuticular scales. Although the optical properties of these nanostructures are well understood, their evolutionary history is not fully resolved, in part due to a poor knowledge of their fossil record. Here, we report three-dimensional photonic nanostructures preserved in brightly coloured scales of two weevils, belonging to the genus Phyllobius or Polydrusus , from the Pleistocene (16–10 ka) of Switzerland. The scales display vibrant blue, green and yellow hues that resemble those of extant Phyllobius/Polydrusus . Scanning electron microscopy and small-angle X-ray scattering analyses reveal that the subfossil scales possess a single-diamond photonic crystal nanostructure. In extant Phyllobius/Polydrusus , the near-angle-independent blue and green hues function primarily in crypsis. The preservation of far-field, angle-independent structural colours in the Swiss subfossil weevils and their likely function in substrate matching confirm the importance of investigating fossil and subfossil photonic nanostructures to understand the evolutionary origins and diversification of colours and associated behaviours (e.g. crypsis) in insects.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

X-ray free-electron laser based dark-field X-ray microscopy: a simulation-based study

Dark-field X-ray microscopy (DFXM) is a nondestructive full-field imaging technique providing three-dimensional mapping of microstructure and local strain fields in deeply embedded crystalline elements. This is achieved by placing an objective lens in the diffracted beam, giving a magnified projection image. So far, the method has been applied with a time resolution of milliseconds to hours. In this work, the feasibility of DFXM at the picosecond time scale using an X-ray free-electron laser source and a pump–probe scheme is considered. Thermomechanical strain-wave simulations are combined with geometrical optics and wavefront propagation optics to simulate DFXM images of phonon dynamics in a diamond single crystal. Using the specifications of the XCS instrument at the Linac Coherent Light Source as an example results in simulated DFXM images clearly showing the propagation of a strain wave.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Development of hard masks for reactive ion beam angled etching of diamond

Diamond offers good optical properties and hosts bright color centers with long spin coherence times. Recent advances in angled-etching of diamond, specifically with reactive ion beam angled etching (RIBAE), have led to successful demonstration of quantum photonic devices operating at visible wavelengths. However, larger devices operating at telecommunication wavelengths have been difficult to fabricate due to the increased mask erosion, arising from the increased size of devices requiring longer etch times. We evaluated different mask materials for RIBAE of diamond photonic crystal nanobeams and waveguides, and how their thickness, selectivity, aspect ratio and sidewall smoothness affected the resultant etch profiles and optical performance. We found that a thick hydrogen silesquioxane (HSQ) layer on a thin alumina adhesion layer provided the best etch profile and optical performance. The techniques explored in this work can also be adapted to other bulk materials that are not available heteroepitaxially or as thin films-on-insulator.

36 MATERIALS SCIENCE↗
DOE OSTI2024

High-pressure high-temperature synthesis of NdRe 2

In this study, we report the synthesis of a new cubic neodymium-rhenium metallic alloy NdRe 2 through the utilization of high pressure and laser heating in a diamond anvil cell. NdRe 2 crystallizes in the Fd$\overline{3}$m space group with a lattice parameter equal to 7.486 (2) Å and Z = 8 at 24 (1) GPa and 2,200 (100) K. It was studied using high-pressure single-crystal X-ray diffraction. The compound crystallizes in the cubic MgCu 2 structure type. Its successful synthesis further proves that high-pressure high-temperature conditions can be used to obtain alloys holding a Laves phase structure. Ab initio calculations were done to predict the mechanical properties of the material. We also discuss the usage of extreme conditions to synthesize and study materials present in the nuclear waste.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2007

Diamond Smoothing Tools

Diamond smoothing tools have been proposed for use in conjunction with diamond cutting tools that are used in many finish-machining operations. Diamond machining (including finishing) is often used, for example, in fabrication of precise metal mirrors. A diamond smoothing tool according to the proposal would have a smooth spherical surface. For a given finish machining operation, the smoothing tool would be mounted next to the cutting tool. The smoothing tool would slide on the machined surface left behind by the cutting tool, plastically deforming the surface material and thereby reducing the roughness of the surface, closing microcracks and otherwise generally reducing or eliminating microscopic surface and subsurface defects, and increasing the microhardness of the surface layer. It has been estimated that if smoothing tools of this type were used in conjunction with cutting tools on sufficiently precise lathes, it would be possible to reduce the roughness of machined surfaces to as little as 3 nm. A tool according to the proposal would consist of a smoothing insert in a metal holder. The smoothing insert would be made from a diamond/metal functionally graded composite rod preform, which, in turn, would be made by sintering together a bulk single-crystal or polycrystalline diamond, a diamond powder, and a metallic alloy at high pressure. To form the spherical smoothing tip, the diamond end of the preform would be subjected to flat grinding, conical grinding, spherical grinding using diamond wheels, and finally spherical polishing and/or buffing using diamond powders. If the diamond were a single crystal, then it would be crystallographically oriented, relative to the machining motion, to minimize its wear and maximize its hardness. Spherically polished diamonds could also be useful for purposes other than smoothing in finish machining: They would likely also be suitable for use as heat-resistant, wear-resistant, unlubricated sliding-fit bearing inserts.

Voronov, Oleg↗
DOE OSTI2021

Direct current response of a thin scCVD diamond detector under increased applied field to 14.1 MeV neutrons

An avalanche effect yielding inherent gain can be exploited in thin, single-crystal chemical vapor deposition (scCVD) diamond. It occurs when a high enough bias is applied across the diamond thickness while avoiding breakdown. This charge multiplication effect was studied previously with alpha particles and heavy ions either by using the transient current technique or by measuring the energy spectrum. The measurements we obtained to evaluate the charge multiplication performance of a 10 μm thick scCVD diamond detector used a novel approach—we employed an electrometer to characterize the response of the detector by performing directly coupled current measurements (time-averaged charge, at 1 Hz sampling) when exposed to 14.1 MeV neutrons from deuterium-tritium fusion. We measured both the dark and irradiated currents from the detector over a range of applied displacement field values from 2 to 75 V/μm. A histogram method with central mean and standard deviation width was used to determine the current over each measurement duration typically from 100 to 300 seconds. The dark-subtracted irradiated current (i.e., contrast) was used to evaluate the gain of the detector at each applied displacement field. The contrast at an applied displacement field between 15 and 20 V/μm was higher than the expected linear increase in contrast proportional to the increased applied bias, indicating the possible presence of avalanche events in the diamond. The detector response also indicated possible polarization and charge depletion effects. These results provide an opportunity to further explore the use of thin scCVD diamond as a fast neutron current mode detector with inherent gain.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1980

Conditions of origin of natural diamonds of peridotite affinity

Studies of mineral inclusions in natural diamonds and rare diamondiferous xenoliths from kimberlites show that most diamonds are associated with a dunite or harzburgite paragenesis. The diamondiferous periodites and dunites have predominantly coarse or tabular textures that suggest low-temperature (less than 1100 C) equilibration. Application of the K(D) Fe/Mg(Ga/Ol) geothermometer of O'Neill and Wood to analytical data for the minerals in these rocks shows that most have equilibrated below 1100 C. Application of this thermometer to pairs of olivine and garnet crystals included in individual diamonds indicates that the diamonds have crystallized in the range 900-1300 C, with a majority of estimated equilibration temperatures falling in the range below 1150 C. Comparison of these estimates of equilibration temperature with the zone of invariant vapor composition solidus for kimberlite and garnet lherzolite determined by Eggler and Wendlandt (1979) suggests that many diamonds may have formed in subsolidus events.

Boyd, F. R.↗
DOE OSTI2021

Scanning X-Ray Diffraction Microscopy for Diamond Quantum Sensing

An understanding of nano- and microscale crystal strain in chemical-vapor-deposition diamond is crucial to the advancement of diamond quantum technologies. In particular, the presence of such strain and its characterization presents a challenge to diamond-based quantum sensing and information applications-as well as for future dark-matter detectors, where the directional information about incoming particles is encoded in crystal strain. Here, we exploit nanofocused scanning x-ray diffraction microscopy to quantitatively measure crystal deformation from defects in diamond with high spatial and strain resolution. The combination of information from multiple Bragg angles allows stereoscopic three-dimensional modeling of strain-feature geometry; the diffraction results are validated via comparison to optical measurements of the strain tensor based on spin-state-dependent spectroscopy of ensembles of nitrogen-vacancy centers in the diamond. Finally, our results demonstrate both strain and spatial resolution sufficient for directional detection of dark matter via x-ray measurement of crystal strain and provide a promising tool for diamond growth analysis and improvement of defect-based sensing.

42 ENGINEERING↗
DOE OSTI2022

Use of diamond sensors for a high-flux, high-rate X-ray pass-through diagnostic

X-ray free-electron lasers (XFELs) deliver pulses of coherent X-rays on the femtosecond time scale, with potentially high repetition rates. While XFELs provide high peak intensities, both the intensity and the centroid of the beam fluctuate strongly on a pulse-to-pulse basis, motivating high-rate beam diagnostics that operate over a large dynamic range. The fast drift velocity, low X-ray absorption and high radiation tolerance properties of chemical vapour deposition diamonds make these crystals a promising candidate material for developing a fast (multi-GHz) pass-through diagnostic for the next generation of XFELs. A new approach to the design of a diamond sensor signal path is presented, along with associated characterization studies performed in the XPP endstation of the LINAC Coherent Light Source (LCLS) at SLAC. Qualitative charge collection profiles (collected charge versus time) are presented and compared with those from a commercially available detector. Quantitative results on the charge collection efficiency and signal collection times are presented over a range of approximately four orders of magnitude in the generated electron–hole plasma density.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗