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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Variation of the {sup 13}C Diamond Properties under Isothermal Compression

The parameters of atomic interaction pair potential for {sup 13}C diamond have been determined from experimental data on the ratio of Raman frequencies for isotopically different diamonds. Based on these parameters, an equation of state and baric dependences of {sup 13}C diamond lattice properties at 300 K have been calculated. Specifically, the Debye temperature; the first, second, and third Grüneisen parameters; elastic modulus; thermal expansion coefficient; heat capacity; surface energy; and pressure derivatives of these parameters along a 300 K isotherm have been determined. The results have been compared with available data for diamond having a natural isotopic composition, i.e., for {sup 12.01}C.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Materials challenges for quantum technologies based on color centers in diamond

Emerging quantum technologies require precise control over quantum systems of increasing complexity. Defects in diamond, particularly the negatively charged nitrogen-vacancy center, are a promising platform with the potential to enable technologies ranging from ultra-sensitive nanoscale quantum sensors, to quantum repeaters for long distance quantum networks, to simulators of complex dynamical processes in many-body quantum systems, to scalable quantum computers. While these advances are due in large part to the distinct material properties of diamond, the uniqueness of this material also presents difficulties, and there is a growing need for novel materials science techniques for characterization, growth, defect control, and fabrication dedicated to realizing quantum applications with diamond. In this article we identify and discuss the major materials science challenges and opportunities associated with diamond quantum technologies.

36 MATERIALS SCIENCE↗
NASA NTRS2022

TransHab Tapered Diamond Stitch Methods - Crewed Inflatable Softgoods Structures

The NASA TransHab project was a flight development program of a crewed inflatable habitat designed for in-space use. Through the course of the development, several novel technologies were developed and patented by NASA. One of these patents included information regarding a custom seam stitch that was used in the TransHab restraint layer design. As the patent protection has ended, the details of the custom seam stitch are being disclosed. The seam stitch developed during the TransHab program is known as the ‘tapered diamond stitch’ and includes both a ‘single’ and ‘double’ tapered diamond pattern for ‘end termination’ and ‘continuous’ webbing components respectively. It was designed for 1-in wide Kevlar webbings with load ratings of 6,000 lbf and 12,500 lbf. The stitch pattern was designed to gradually transfer load along the length of the seam using a tapered diamond geometry. The diamond stitch has been shown in tensile testing to provide greater than 85% load strength efficiency, compared to the pristine webbing.

transhab↗
DOE OSTI2018

Diamond detector technology, status and perspectives

Detectors based on Chemical Vapor Deposition (CVD) diamond have been used extensively and successfully in beam conditions/beam loss monitors as the innermost detectors in the highest radiation areas of Large Hadron Collider (LHC) experiments. The startup of the LHC in 2015 brought a new milestone where the first polycrystalline CVD (pCVD) diamond pixel modules were installed in an LHC experiment and successfully began operation. The RD42 collaboration at CERN is leading the effort to develop polycrystalline CVD diamond as a material for tracking detectors operating in extreme radiation environments. The status of the RD42 project with emphasis on recent beam test results is presented.

3D diamond detectors↗
DOE OSTI2016

Spin coherence and 14N ESEEM effects of nitrogen-vacancy centers in diamond with X-band pulsed ESR

Pulsed ESR experiments are reported for ensembles of negatively-charged nitrogen-vacancy centers (NV - ) in diamonds at X-band magnetic fields (280–400 mT) and low temperatures (2–70 K). The NV - centers in synthetic type IIa diamonds (nitrogen impurity concentration < 1 ppm) are prepared with bulk concentrations of 2 • 10 13 cm -3 to 4• 10 14 cm -3 by high-energy electron irradiation and subsequent annealing. We find that a proper post-radiation anneal (1000°C for 60 min) is very important to repair the radiation damage and to recover long electron spin coherence times for NV - s. After the annealing, spin coherence times of T 2 = 0.74ms at 5 K are achieved, being only limited by 13 C nuclear spectral diffusion in natural abundance diamonds. By measuring the temperature dependence of T 2 in the under-annealed diamonds (900°C) we directly extract the density (10 14 -16 cm -3 ) and activation energy (2.5 meV) of unannealed defects responsible for the faster NV - decoherence. At X-band magnetic fields, strong electron spin echo envelope modulation (ESEEM) is observed originating from the central 14 N nucleus, and we extract accurate 14 N nuclear hypefine and quadrupole tensors. In addition, the ESEEM effects from two proximal 13 C sites (second-nearest neighbor and fourth-nearest neighbor) are resolved and the respective 13 C hyperfine coupling constants are extracted.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Dislocation generation in diamond under extreme loading

Diamond is, by virtue of its high bonding forces and Peierls-Nabarro barrier stresses, among the hardest materials on earth due to the difficulty of generating and moving dislocations. We demonstrate, using molecular dynamics and analytical calculations, that the generation of defects is dependent on loading orientation. Shock-loading single-crystal diamond along [001] and [011] to a stress of 137 GPa did not reveal dislocations, whereas loading along [111] generated profuse dislocations. The introduction of a void at the latter orientation generated dislocations at 72.6 GPa. Two slip systems were identified: <011>{100} and <112>{111}. The threshold for plastic deformation in diamond is orientation dependent and significantly lower than reported in previous studies: 0.14 G (shear modulus). The void collapse generated localized amorphization for [001]. In conclusion, these results on the anisotropy of plasticity and void effects have relevance for the improvement of symmetry in the collapse of diamond capsules in inertial fusion experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Optical properties of implanted Xe color centers in diamond

Optical properties of color centers in diamond have been the subject of intense research due to their promising applications in quantum photonics. Here in this work we study the optical properties of Xe related color centers implanted into nitrogen rich (type IIA) and an ultrapure, electronic grade diamond. The Xe defect has two zero phonon lines at 794 nm and 811 nm, which can be effectively excited using both green and red excitation, however, its emission in the nitrogen rich diamond is brighter. Near resonant excitation is performed at cryogenic temperatures and luminescence is probed under strong magnetic field. Finally, our results are important towards the understanding of the Xe related defect and other near infrared color centers in diamond.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Surface Transfer Doping in MoO 3– x /Hydrogenated Diamond Heterostructure

Surface transfer doping is proposed to be a potential solution for doping diamond, which is hard to dope for applications in high-power electronics. While MoO 3 is found to be an effective surface electron acceptor for hydrogen-terminated diamond with a negative electron affinity, the effects of commonly existing oxygen vacancies remain elusive. We have performed reactive molecular dynamics simulations to study the deposition of MoO 3–x on a hydrogenated diamond (111) surface and used first-principles calculations based on density functional theory to investigate the electronic structures and charge transfer mechanisms. We find that MoO 3–x is an effective surface electron acceptor and the spatial extent of doped holes in hydrogenated diamond is extended, promoting excellent transport properties. Charge transfer is found to monotonically decrease with the level of oxygen vacancy, providing guidance for engineering of the surface transfer doping process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Magic Diamond: Covalent Bond Formation of Melamine and Other Amines on Nanodiamond Surfaces

High-temperature, high-pressure (HPHT) nanodiamond (ND) hosts nitrogen-vacancy (NV) centers, solid-state qubits that enable room-temperature quantum sensing by all-optical magnetometry, electrometry, and thermometry. However, the covalent surface functionalization of nanoscale diamond remains largely limited to carboxylate-based chemistries. Amine termination is particularly attractive because theoretical studies predict suppression of midgap states and extended electron-spin coherence times. Recently, chemical activation of alcohol-terminated NDs to alkyl bromides (ND-Br) using SOBr2 has enabled nucleophilic substitution through a carbocation intermediate, allowing formation of simple amine terminations. Here, we evaluate whether sterically demanding amines can form covalent diamond−nitrogen bonds on ND-Br surfaces. ND-Br was reacted with branched, linear, and cyclic amines, including polyethylenimine, diethylenetriamine, and melamine. X-ray spectroscopies were used to confirm successful and to probe the resulting electronic structure at the diamond−amine interface. These results expand the chemical toolbox for tuning diamond surface dipoles and electron affinity, providing new pathways for engineering nanodiamond surfaces for quantum sensing and photocatalysis applications.

Amines↗
DOE OSTI2017

Synthesis of quenchable amorphous diamond

Diamond owes its unique mechanical, thermal, optical, electrical, chemical, and biocompatible materials properties to its complete sp 3 -carbon network bonding. Crystallinity is another major controlling factor for materials properties. Although other Group-14 elements silicon and germanium have complementary crystalline and amorphous forms consisting of purely sp 3 bonds, purely sp 3 -bonded tetrahedral amorphous carbon has not yet been obtained. In this letter, we combine high pressure and in situ laser heating techniques to convert glassy carbon into “quenchable amorphous diamond”, and recover it to ambient conditions. Our X-ray diffraction, high-resolution transmission electron microscopy and electron energy-loss spectroscopy experiments on the recovered sample and computer simulations confirm its tetrahedral amorphous structure and complete sp 3 bonding. This transparent quenchable amorphous diamond has, to our knowledge, the highest density among amorphous carbon materials, and shows incompressibility comparable to crystalline diamond.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Creating two-dimensional solid helium via diamond lattice confinement

The universe abounds with solid helium in polymorphic forms. Therefore, exploring the allotropes of helium remains vital to our understanding of nature. However, it is challenging to produce, observe and utilize solid helium on the earth because high-pressure techniques are required to solidify helium. Here we report the discovery of room-temperature two-dimensional solid helium through the diamond lattice confinement effect. Controllable ion implantation enables the self-assembly of monolayer helium atoms between {100} diamond lattice planes. Using state-of-the-art integrated differential phase contrast microscopy, we decipher the buckled tetragonal arrangement of solid helium monolayers with an anisotropic nature compressed by the robust diamond lattice. These distinctive helium monolayers, in turn, produce substantial compressive strains to the surrounded diamond lattice, resulting in a large-scale bandgap narrowing up to ~2.2 electron volts. This approach opens up new avenues for steerable manipulation of solid helium for achieving intrinsic strain doping with profound applications.

42 ENGINEERING↗
DOE OSTI2023

Thermodynamics of diamond formation from hydrocarbon mixtures in planets

Hydrocarbon mixtures are extremely abundant in the Universe, and diamond formation from them can play a crucial role in shaping the interior structure and evolution of planets. With first-principles accuracy, we first estimate the melting line of diamond, and then reveal the nature of chemical bonding in hydrocarbons at extreme conditions. We finally establish the pressure-temperature phase boundary where it is thermodynamically possible for diamond to form from hydrocarbon mixtures with different atomic fractions of carbon. Notably, here we show a depletion zone at pressures above 200 GPa and temperatures below 3000 K-3500 K where diamond formation is thermodynamically favorable regardless of the carbon atomic fraction, due to a phase separation mechanism. The cooler condition of the interior of Neptune compared to Uranus means that the former is much more likely to contain the depletion zone. Our findings can help explain the dichotomy of the two ice giants manifested by the low luminosity of Uranus, and lead to a better understanding of (exo-)planetary formation and evolution.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Metastability of diamond ramp-compressed to 2 terapascals

Carbon is the fourth-most prevalent element in the Universe and essential for all known life. In the elemental form it is found in multiple allotropes, including graphite, diamond and fullerenes, and it has long been predicted that even more structures can exist at pressures greater than those at Earth’s core. Several phases have been predicted to exist in the multi-terapascal regime, which is important for accurate modelling of the interiors of carbon-rich exoplanets. By compressing solid carbon to 2 terapascals (20 million atmospheres; more than five times the pressure at Earth’s core) using ramp-shaped laser pulses and simultaneously measuring nanosecond-duration time-resolved X-ray diffraction, we found that solid carbon retains the diamond structure far beyond its regime of predicted stability. The results confirm predictions that the strength of the tetrahedral molecular orbital bonds in diamond persists under enormous pressure, resulting in large energy barriers that hinder conversion to more-stable high-pressure allotropes, just as graphite formation from metastable diamond is kinetically hindered at atmospheric pressure. In conclusion, this work nearly doubles the highest pressure at which X-ray diffraction has been recorded on any material.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Diamond and methane formation from the chemical decomposition of polyethylene at high pressures and temperatures

Abstract Polyethylene (C 2 H 4 ) n was compressed to pressures between 10 and 30 GPa in a diamond anvil cell (DAC) and laser heated above 2500 K for approximately one second. This resulted in the chemical decomposition of the polymer into carbon and hydrocarbon reaction products. After quenching to ambient temperature, the decomposition products were measured in the DAC at pressures ranging from ambient to 29 GPa using a combination of x-ray diffraction (XRD) and small angle x-ray scattering (SAXS). XRD identified cubic diamond and methane as the predominant product species with their pressure–volume relationships exhibiting strong correlations to the diamond and methane equations of state. Length scales associated with the diamond products, obtained from SAXS measurements, indicate the formation of nanodiamonds with a radius of gyration between 12 and 35 nm consistent with 32–90 nm diameter spherical particles. These results are in good agreement with the predicted product composition under thermodynamic and chemical equilibrium.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Large piezoresistive effect in surface conductive nanocrystalline diamond

Surface conductivity in hydrogen-terminated single crystal diamond is an intriguing phenomenon for fundamental reasons as well as for application driven research. Surface conductivity is also observed in hydrogen-terminated nanocrystalline diamond although the electronic transport mechanisms remain unclear. In this work, the piezoresistive properties of intrinsic surface conductive nanocrystalline diamond are investigated. A gauge factor of 35 is calculated from bulging a diamond membrane of 350 nm thick, with a diameter of 656 μm and a sheet resistance of 1.45 MΩ/sq. The large piezoresistive effect is reasoned to originate directly from strain-induced changes in the resistivity of the grain boundaries. Additionally, we ascribe a small time-dependent fraction of the piezoresistive effect to charge trapping of charge carriers at grain boundaries. In conclusion, time-dependent piezoresistive effect measurements act as a tool for deeper understanding the complex electronic transport mechanisms induced by grain boundaries in a polycrystalline material or nanocomposite.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

AC calorimetry of H 2 O at pressures up to 9 GPa in diamond anvil cells

If successfully developed, calorimetry at tens of GPa of pressure could help characterize phase transitions in materials such as high-pressure minerals, metals, and molecular solids. In this paper, we extend alternating-current calorimetry to 9 GPa and 300 K in a diamond anvil cell and use it to study phase transitions in H 2 O. In particular, water is loaded into the sample chambers of diamond-cells, along with thin metal heaters (1 μm-thick platinum or 20 nm-thick gold on a glass substrate) that drive high-frequency temperature oscillations (20 Hz to 600 kHz; 1 to 10 K). The heaters also act as thermometers via the third-harmonic technique, yielding calorimetric data on (1) heat conduction to the diamonds and (2) heat transport into substrate and sample. Using this method during temperature cycles from 300 to 200 K, we document melting, freezing, and proton ordering and disordering transitions of H 2 O at 0 to 9 GPa, and characterize changes in thermal conductivity and heat capacity across these transitions. Finally, the technique and analysis pave the way for calorimetry experiments on any non-metal at pressures up to ~100 GPa, provided a thin layer (several μm-thick) of thermal insulation supports a metallic thin-film (tens of nm thick) Joule-heater attached to low contact resistance leads inside the sample chamber of a diamond-cell.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Next-generation diamond cell and applications to single-crystal neutron diffraction

In this paper, a diamond cell optimized for single-crystal neutron diffraction is described. It is adapted for work at several of the single-crystal diffractometers of the Spallation Neutron Source and the High Flux Isotope Reactor at the Oak Ridge National Laboratory (ORNL). A simple spring design improves portability across the facilities and affords load maintenance from offline pressurization and during temperature cycling. Compared to earlier prototypes, pressure stability of polycrystalline diamond (Versimax®) has been increased through double-conical designs and ease of use has been improved through changes to seat and piston setups. These anvils allow ~30%-40% taller samples than possible with comparable single-crystal anvils. Hydrostaticity and the important absence of shear pressure gradients have been established with the use of glycerin as a pressure medium. Large single-crystal synthetic diamonds have also been used for the first time with such a clamp-diamond anvil cell for pressures close to 20 GPa. The cell is made from a copper beryllium alloy and sized to fit into ORNL’s magnets for future ultra-low temperature and high-field studies. Finally, we show examples from the Spallation Neutron Source’s SNAP and CORELLI beamlines and the High Flux Isotope Reactor’s HB-3A and IMAGINE beamlines.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Engineering quantum-coherent defects: The role of substrate miscut in chemical vapor deposition diamond growth

The engineering of defects in diamond, particularly nitrogen-vacancy (NV) centers, is important for many applications in quantum science. A materials science approach based on chemical vapor deposition (CVD) growth of diamond and in situ nitrogen doping is a promising path toward tuning and optimizing the desired properties of the embedded defects. Herein, with the coherence of the embedded defects in mind, we explore the effects of substrate miscut on the diamond growth rate, nitrogen density, and hillock defect density, and we report an optimal angle range for the purposes of engineering coherent ensembles of NV centers in diamond according to our growth parameters. We provide a model that quantitatively describes hillock nucleation in the step-flow regime of CVD growth, shedding insight on the physics of hillock formation. We also report significantly enhanced incorporation of nitrogen at hillock defects, opening the possibility for templating hillock-defect-localized NV center ensembles for quantum applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗