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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Facile diamond synthesis from lower diamondoids

Carbon-based nanomaterials have exceptional properties that make them attractive for a variety of technological applications. Here, we report on the use of diamondoids (diamond-like, saturated hydrocarbons) as promising precursors for laser-induced high-pressure, high-temperature diamond synthesis. The lowest pressure and temperature $(P-T)$ conditions that yielded diamond were 12 GPa (at ~2000 K) and 900 K (at ~20 GPa), respectively. This represents a substantially reduced transformation barrier compared with diamond synthesis from conventional (hydro)carbon allotropes, owing to the similarities in the structure and full sp 3 hybridization of diamondoids and bulk diamond. At 20 GPa, diamondoid-to-diamond conversion occurs rapidly within <19 μs. Molecular dynamics simulations indicate that once dehydrogenated, the remaining diamondoid carbon cages reconstruct themselves into diamond-like structures at high $P-T$. This study is the first successful mapping of the $P-T$ conditions and onset timing of the diamondoid-to-diamond conversion and elucidates the physical and chemical factors that facilitate diamond synthesis.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Elastic moduli of hexagonal diamond and cubic diamond formed under shock compression

The relative stiffnesses and strengths of hexagonal diamond and cubic diamond constitute long standing unresolved issues, because relevant experimental results are lacking. Laser interferometry was used to experimentally determine the longitudinal sound speeds and moduli in hexagonal diamond and cubic diamond formed during the shock compression of graphite. The hexagonal diamond longitudinal moduli are significantly larger than the cubic diamond longitudinal moduli, and even exceed averaged cubic diamond single crystal values. Here, the measured hexagonal diamond longitudinal moduli, combined with high-pressure bulk moduli for cubic diamond single crystals, show that shock-formed hexagonal diamond shear moduli are larger than the shear moduli for cubic diamond single crystals.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1994

Noble gases in presolar diamonds I: Three distinct components and their implications for diamond origins

High-purity separates of presolar diamond were prepared from 14 primitive chondrites from 7 compositional groups. Their noble gases were measured using stepped pyrolysis. Three distinct noble gas components are present in diamonds, HL, P3, and P6, each of which is found to consist of five noble gases. P3, released between 200 C and 900 C, has a 'planetary' elemental abundance pattern and roughly 'normal' isotopic ratios. HL, consisting of isotopically anomalous Xe-HL and Kr-H, Ar with high Ar-38/Ar-36, and most of the gas making up Ne-A2 and He-A, is released between 1100 C and 1600 C. HL has 'planetary' elemental ratios, except that it has much more He and Ne than other known 'planetary' components. HL gases are carried in the bulk diamonds, not in some trace phase. P6 has a slightly higher median release temperature than HL and is not cleanly separated from HL by stepped pyrolysis. Our data suggest that P6 has roughly 'normal' isotopic compositions and 'planetary' elemental ratios. Both P3 and P6 seem to be isotopically distinct from P1, the dominant 'planetary' noble-gas component in primitive chondrites. Release characteristics suggest that HL and P6 are sited in different carriers within the diamond fractions, while P3 may be sited near the surfaces of the diamonds. We find no evidence of separability of Xe-H and Xe-L or other isotopic variations in the HL component. However, because approximately 10(exp 10) diamonds are required to measure a Xe composition, a lack of isotopic variability does not constrain diamonds to come from a single source. In fact, the high abundance of diamonds in primitive chondrites and the presence of at least three distinct noble-gas components strongly suggest that diamonds originated in many sources. Relative abundances of noble-gas components in diamonds correlate with degree of thermal processing, indicating that all meteorites sampled essentially the same mixture of diamonds. That mixture was probably inherited from the Sun's parent molecular cloud.

Huss, Gary R.↗
NASA NTRS1982

Diamond Sheet: A new diamond tool material

Diamond sheet is termed a diamond tool material because it is not a cutting tool, but rather a new material from which a variety of different tools may be fabricated. In appearance and properties, it resembles a sheet of copper alloy with diamond abrasive dispersed throughout it. It is capable of being cut, formed, and joined by conventional methods, and subsequently used for cutting as a metal bonded diamond tool. Diamond sheet is normally made with industrial diamond as the abrasive material. The metal matrix in diamond sheet is a medium hard copper alloy which has performed well in most applications. This alloy has the capability of being made harder or softer if specific cutting conditions require it. Other alloys have also been used including a precipitation hardened aluminum alloy with very free cutting characteristics. The material is suitable for use in a variety of cutting, surfacing, and ring type tools, as well as in such mundane items as files and sandpaper. It can also be used as a bearing surface (diamond to diamond) and in wear resistant surfaces.

Mackey, C. R.↗
NASA NTRS1981

Effect of electronic structure of the diamond surface on the strength of the diamond-metal interface

A diamond surface undergoes a transformation in its electronic structure by a vacuum anneal at approximately 900 C. The polished surface has no electronic states in the band gap, whereas the annealed surface has both occupied and unoccupied states in the and gap and exhibits some electrical conductivity. The effect of this transformation on the strength of the diamond metal interface was investigated by measuring the static friction force of an atomically clean meta sphere on a diamond flat in ultrahigh vacuum. It was found that low friction (weak bonding) is associated with the diamond surface devoid of gap states whereas high friction (strong bonding) is associated with the diamond surface with gap states. Exposure of the annealed surface to excited hydrogen also leads to weak bonding. The interfacial bond is discussed in terms of interaction of the metal conduction band electrons with the band gap states on the diamond surface. Effects of surface electrical conductivity on the interfacial bond are also be considered.

Pepper, S. V.↗
DOE OSTI2024

Extreme Metastability of Diamond and its Transformation to the BC8 Post-Diamond Phase of Carbon

Diamond possesses exceptional physical properties due to its remarkably strong carbon–carbon bonding, leading to significant resilience to structural transformations at very high pressures and temperatures. Despite several experimental attempts, synthesis and recovery of the theoretically predicted post-diamond BC8 phase remains elusive. Through quantum-accurate multimillion atom molecular dynamics (MD) simulations, we have uncovered the extreme metastability of diamond at very high pressures, significantly exceeding its range of thermodynamic stability. We predict the post-diamond BC8 phase to be experimentally accessible only within a narrow high pressure–temperature region of the carbon phase diagram. The diamond to BC8 transformation proceeds through premelting followed by BC8 nucleation and growth in the metastable carbon liquid. Here we propose a double-shock compression pathway for BC8 synthesis, which is currently being explored in experiments at the National Ignition Facility.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1990

Status and applications of diamond and diamond-like materials: An emerging technology

Recent discoveries that make possible the growth of crystalline diamond by chemical vapor deposition offer the potential for a wide variety of new applications. This report takes a broad look at the state of the technology following from these discoveries in relation to other allied materials, such as high-pressure diamond and cubic boron nitride. Most of the potential defense, space, and commercial applications are related to diamond's hardness, but some utilize other aspects such as optical or electronic properties. The growth processes are reviewed, and techniques for characterizing the resulting materials' properties are discussed. Crystalline diamond is emphasized, but other diamond-like materials (silicon carbide, amorphous carbon containing hydrogen) are also examined. Scientific, technical, and economic problem areas that could impede the rapid exploitation of these materials are identified. Recommendations are presented covering broad areas of research and development.

Source record↗
DOE OSTI2020

Shaped Beams from Diamond Field-Emitter Array Cathodes

Diamond field-emitter arrays (DFEAs) are arrays of diamond pyramids with exquisitely sharp tips and micrometer-scale bases that produce high current densities. These arrays can be fabricated in arbitrary shapes, ranging from single tips to many millions of tips, so that they produce an inherently shaped electron beam. Each tip emits a modest current, but the large dense array can produce many Amps. We are investigating these cathodes for use in dielectric wakefield accelerators; however, they may also be applicable to vacuum microwave tubes. Recently, shaped beam production and transport have been demonstrated in the 1.3-GHz RF gun at the Argonne Cathode Test Stand at the Argonne National Laboratory. The charge was measured on a Faraday cup and the beam imaged on a YAG screen with peak electric field gradients on the cathode ranging from 12 to 35 MV/m. Three cathode geometries were tested: one 1-mm equilateral triangle with 7-mu m base pyramids and 10-mu m pitch, one 1-mm equilateral triangle with 10-mu m base and 25-mu m pitch, and one sparse 5 x 5 square array with 20-mu m base and 400-mu m pitch. The two triangular arrays emitted 35 nC in an RF macropulse at 35 MV/m and 13-nC charge at 27 MV/m, respectively, while the sparse array emitted 0.060-nC charge at 15 MV/m. This article presents the results of the triangular array experiments, including damage due to breakdown in the RF gun and initial models of tip-to-tip shielding.

Cathodes↗
DOE OSTI2024

Lossless Phonon Transition Through GaN‐Diamond and Si‐Diamond Interfaces

Abstract Advancing Silicon (Si) technology beyond Moore's law through 3D architectures requires highly efficient heat management methods compatible with foundry processes. While continued increases in transistor density can be achieved through 3D architectures, self‐heating in the upper tiers degrades the performance. Self‐heating is a critical problem for high‐power, high‐frequency, wide bandgap, and ultra‐wide bandgap devices as well. Diamond, known for its exceptional thermal conductivity, offers a viable solution in both these cases. Since thermal boundary resistance (between the channel/junction and diamond plays a crucial role in overall thermal resistance, this study investigates various dielectrics for interface engineering, such as Silicon dioxide (SiO 2 ), amorphous‐ Silicon Carbide (a‐SiC), and Silicon Nitride (SiN x ), to make a phonon bridge at gallium nitride (GaN)‐diamond and Si‐diamond interfaces. The a‐SiC interlayer reduces diamond/GaN (<5 m 2 K per GW) and diamond/Si (<2 m 2 K per GW) thermal boundary resistances by linking low‐ and high‐frequency phonons, boosting phonon transport through the interface. Engineered interfaces enhance heat spreading from the channel/junction and rule out premature failure.

Malakoutian, Mohamadali↗
DOE OSTI2022

Melting diamond in the diamond cell by laser-flash heating

The phase behavior of carbon at high pressure and the search for carbon structures denser than diamond has been explored for decades showing large discrepancies, with many fundamental questions remaining unresolved. Here we show evidence of melting above the graphite-diamond-liquid (GDL) triple point (~13 GPa, 4000 K) up to 50 GPa on samples recovered from single flash-heating events using spectroscopic and electron microscopic methods. The results show that for all pressures, diamond melts below the triple point temperature contradicting previous studies, most of which predict a positive slope of the melting curve.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Ohmic contacts to nitrogen-incorporated n-type ultrananocrystalline diamond film grown on intrinsic single crystal diamond substrate

Nitrogen-incorporated ultrananocrystalline diamond (n-UNCD) films offer tremendous potential for diverse electronic applications. However, the absence of a reliable Ohmic contact at room temperature limits their practical integration and broader applicability. Here, in this study, we investigate the room temperature specific contact resistivity (ρ c ) of Ti/Pt/Au metal stack deposited on n-UNCD films grown on an intrinsic single crystal diamond substrate using a microwave plasma chemical vapor deposition system. We employ a circular transfer length model (c-TLM) and find the room temperature ρ c to be ∼4.67 × 10 −5 Ω cm 2 , which is among the lowest reported value for n-UNCD films. High temperature vacuum annealing conducted at 700 and 800 °C results in an initial improvement, followed by a minor degradation in ρ c values, respectively. The electrical contacts remain highly Ohmic for all measurements. Furthermore, cross-sectional transmission electron microscopy analysis suggests formation of conductive titanium carbide layer with no significant inter metallic diffusion. Overall, the electrical contacts demonstrate robust thermal stability, both of which are critical for attaining high-performance nanocrystalline diamond-based electronic devices.

Low resistance contacts↗
DOE OSTI2026

From diamond to BC8 to simple cubic and back: Kinetic pathways to post-diamond carbon phases from metadynamics

Understanding the kinetic pathways connecting carbon polymorphs at multimegabar pressures remains a major unsolved problem in high-pressure physics. Here, we provide insights into the long-standing question of BC8 formation and stability by combining a state-of-the-art SNAP machine-learning interatomic potential with enhanced sampling via metadynamics, enabling direct access to transition mechanisms far beyond the reach of standard molecular dynamics. Our simulations show that carbon phase transformations are intrinsically complex, proceeding through multiple intermediate disordered and crystalline states governed by nontrivial kinetic ordering. We determine the upper pressure limit for BC8 formation and reveal that hexagonal diamond transforms to BC8 faster than cubic diamond—an unexpected and experimentally testable prediction. We also identify a 𝑃⁢222 carbon phase that becomes competitive with diamond and simple cubic above 1.8 TPa, and we demonstrate that BC8 may be quenched to ambient conditions at moderate temperatures. Altogether, these results establish a general and transferable framework for resolving kinetic pathways in solid-solid phase transitions and provide physical insights into carbon's complex high-pressure landscape.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Generation of Tin-Vacancy Centers in Diamond via Shallow Ion Implantation and Subsequent Diamond Overgrowth

Group IV color centers in diamond have garnered great interest for their potential as optically active solid-state spin qubits. The future utilization of such emitters requires the development of precise site-controlled emitter generation techniques that are compatible with high-quality nanophotonic devices. This task is more challenging for color centers with large group IV impurity atoms, which are otherwise promising because of their predicted long spin coherence times without a dilution refrigerator. For example, when applied to the negatively charged tin-vacancy (SnV – ) center, conventional site-controlled color center generation methods either damage the diamond surface or yield bulk spectra with unexplained features. Here we demonstrate a novel method to generate site-controlled SnV – centers with clean bulk spectra. We shallowly implant Sn ions through a thin implantation mask and subsequently grow a layer of diamond via chemical vapor deposition. This method can be extended to other color centers and integrated with quantum nanophotonic device fabrication.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Water‐Induced Diamond Formation at Earth's Core‐Mantle Boundary

Abstract The carbon and water cycles in the Earth's interior are linked to key planetary processes, such as mantle melting, degassing, chemical differentiation, and advection. However, the role of water in the carbon exchange between the mantle and core is not well known. Here, we show experimental results of a reaction between Fe 3 C and H 2 O at pressures and temperatures of the deep mantle and core‐mantle boundary (CMB). The reaction produces diamond, FeO, and FeH x , suggesting that water can liberate carbon from the core in the form of diamond (“core carbon extraction”) while the core gains hydrogen, if subducted water reaches to the CMB. Therefore, Earth's deep water and carbon cycles can be linked. The extracted core carbon can explain a significant amount of the present‐day mantle carbon. Also, if diamond can be collected by mantle flow in the region, it can result in unusually high seismic‐velocity structures.

Ko, Byeongkwan↗
DOE OSTI2024

A miniature multi-anvil apparatus using diamond as anvils—MDAC: Multi-axis diamond anvil cell

The diamond anvil cell (DAC) has been widely used in high-pressure research. Despite significant progress over the past five decades, the opposed anvil geometry in the DAC inevitably leads to a disk-shaped sample configuration at high pressure. This intrinsic limitation is largely responsible for the large pressure and temperature gradients in the DAC, which often compromise precise experiments and their characterizations. Here, we designed and fabricated a multi-axis diamond anvil cell (MDAC) by adopting the concept of a multi-anvil apparatus but using single crystal diamonds as the anvil material. Preliminary data show that the MDAC can generate extreme pressure conditions above 100 GPa. The advantages of the MDAC over a traditional opposed anvil DAC include thicker, voluminous samples, quasi-hydrostatic, or designed deviatoric stress conditions, and multidirectional access windows for optical applications and x-ray probes. In this article, we present the design and performance of a prototype MDAC, as well as the application prospects in high-pressure research.

47 OTHER INSTRUMENTATION↗