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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Impact of classical statistics on thermal conductivity predictions of BAs and diamond using machine learning molecular dynamics

Machine learning interatomic potentials (MLIPs) have greatly enhanced molecular dynamics (MD) simulations, achieving near-first-principles accuracy in thermal conductivity studies. In this work, we reveal that this accuracy, observed in BAs and diamond at sub-Debye temperatures, stems from an accidental error cancelation: classical statistics overestimates specific heat while underestimating phonon lifetimes, balancing out in thermal conductivity predictions. However, this balance is disrupted when isotopes are introduced, leading MLIP-based MD to significantly underpredict thermal conductivity compared to experiments and quantum statistics-based Boltzmann transport equation. This discrepancy arises not from classical statistics affecting phonon–isotope scattering rates but from its impact on the interplay between phonon–isotope and phonon–phonon scattering in the normal scattering-dominated BAs and diamond. In conclusion, this work underscores the limitations of MLIP-based MD for thermal conductivity studies at sub-Debye temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Reduced thermal resistance of Al-rich AlGaN HEMTs via top-side diamond integration

We report back-end-of-line growth of nanocrystalline diamond (NCD) on ultrawide bandgap (UWBG) high Al content aluminum gallium nitride (AlGaN) channel high electron mobility transistors for thermal management. A thin (∼15 nm) silicon nitride (SiN x ) interlayer was deposited to protect the device surface before performing a low temperature (500 °C) NCD growth process in an attempt to protect the gates on these fully fabricated devices. Notably, atomic force microscopy showed that the maximum lateral grain size exceeded 300 nm even though the film thickness was ∼250 nm. Comparing electrical (DC) performance before and after NCD growth, the gate leakage increased by ∼10 2 after NCD growth. Despite the lower NCD growth temperature, intermixing of the Ni and Au was observed in the Schottky gate metal stack; however, we believe there is another mechanism, possibly hydrogen-related, that is responsible for the measured increase in gate leakage. Regarding thermal management, the device-level thermal resistance (quantified using the average gate temperature rise measured by thermoreflectance imaging) was reduced by 29% through the incorporation of the top-side diamond film. Using time-domain thermoreflectance, the thermal conductivity of the ≈250 nm thick NCD film was measured to be 45 ± 25 W m −1 K −1 . This is expected to be at least 5× greater than the thermal conductivity of the thin disordered AlGaN alloy. There could also be a coupled electrothermal component contributing to the reduced temperature rise from electric field spreading and consequent heat spreading. This study demonstrates a promising first step toward device-level thermal management of high power UWBG Al-rich AlGaN devices.

Lundh, James Spencer [U.S. Naval Research Laborato↗
DOE OSTI2026

Low-energy ion beam sputtering of polycrystalline diamond

Ion beam milling is a highly versatile and precise technique for the microfabrication of diamond films, enabling controlled material removal at both micrometer and sub-micrometer scales while accommodating complex geometries and surface features. Comprehensive sputtering yield data are essential for process optimization. In this work, we systematically measure the sputter yield of polycrystalline diamond bombarded with $\textrm{N}_2^+$, Ne + , Ar + , Kr + , and Xe + ions over an energy range of 300–900 eV and beam incidence angles of 0°−80°, providing data critical for precision machining applications. Results show that the sputter yield increases with both ion energy and the incidence angle and decreases with increasing ion mass. For $\textrm{N}_2^+$ ions, the sputter yield is largely insensitive to ion energy and exceeds values expected for pure physical sputtering. The concurrent formation of volatile C 2 N 2 molecules during $\textrm{N}_2^+$ ion bombardment suggests that the process is dominated by chemical sputtering. The absence of a peak in the dependence of the sputter yield on the beam incidence angle expected at oblique incidence angles is attributed to the effects of surface roughness.

Materials science↗
DOE OSTI2026

Creation of depth-confined, shallow nitrogen-vacancy centers in diamond with tunable density

Engineering shallow nitrogen-vacancy (NV) centers in diamond holds the key to unlocking new advances in nanoscale quantum sensing. We find that the creation of near-surface NVs through delta doping during diamond growth allows for tunable control over both NV depth confinement (with a twofold improvement relative to low-energy ion implantation) and NV density, ultimately resulting in highly sensitive single defects and ensembles with coherence limited by NV–NV interactions. Additionally, we demonstrate the utility of our shallow delta-doped NVs by imaging magnetism in few-layer CrSBr, a two-dimensional magnet. Here, we anticipate that the control afforded by near-surface delta doping will enable new developments in NV quantum sensing from nanoscale nuclear magnetic resonance to entanglement-enhanced metrology.

Chemical vapor deposition↗
DOE OSTI2026

The MuFusE large-volume diamond anvil cell for exploring muon-catalyzed fusion at higher pressures and temperatures

A new large-volume diamond anvil cell (DAC) has been developed for the Muon-catalyzed Fusion (μCF) Experiment (MuFusE), enabling the compression and heating of deuterium–tritium (d–t) mixtures to pressures and temperatures needed to advance μCF research. The MuFusE DAC achieves the large sample volumes necessary for high-precision fusion measurements while integrating cryogenic loading, all-metal sealing, and flexible bellows to maintain a secure environment during cell compression. Combined with remote pneumatic actuation and secondary containment, the DAC safely managed a 25 Ci tritium inventory while providing a clear optical path for in situ measurements of sample pressure and composition via laser spectroscopy. Utilizing 5 mm diameter diamond anvils oriented in the path of a high-intensity muon beam, the apparatus achieved a stable sample volume of 19.2 mm 3 at liquid density, pressures up to 933 MPa and temperatures up to 400 K—benchmarks that significantly exceed previously reported limits for static d–t targets.

Kalow, J. D. [Acceleron Fusion, Inc., Cambridge, M↗
NASA NTRS1971

Second-order electro-optic effect in diamond.

Observation of a second-order electrooptic effect in diamond, leading to the determination of an order of magnitude for the appropriate second-order electrooptic coefficient of diamond. A linear effect, forbidden by symmetry, is also observed and attributed to random residual strains, an average estimate of which is obtained as .00001 for the particular sample used in this experiment. Birefringence due to second-order dispersion effects is also discussed.

Anastassakis, E.↗
NASA NTRS1973

Process for making diamonds

A description is given of a device and process for making industrial diamonds. The device is composed of an exponential horn tapering from a large end to a small end, with a copper plate against the large end. A magnetic hammer abuts the copper plate. The copper plate and magnetic hammer function together to create a shock wave at the large end of the horn. As the wave propagates to the small end, the extreme pressure and temperature caused by the wave transforms the graphite, present in an anvil pocket at the small end, into diamonds.

Rasquin, J. R.↗
NASA NTRS1978

An analysis of flight data from aircraft landings with and without the aid of a painted diamond on the same runway

The usefulness of a painted diamond on a runway as a visual aid to perform safe landings of aircraft was studied. Flight data on glideslope intercepts, flight path elevation angles, and touchdown distances were collected and analyzed. It is concluded that an appropriately painted diamond on a runway has the potential of providing glideslope information for the light weight class of general aviation aircraft. This conclusion holds irrespective of the differences in landing techniques used by the pilots.

Swaroop, R.↗
NASA NTRS1979

Analysis of resistance-versus-pressure relations for the diamond indentor-anvil system

Pressures in excess of 1.4 Mbars have been attained by Ruoff and Wanagel (1977) by pressing tiny spherical diamond indentors (tip radius of 2 microns or less) against a diamond anvil. This system has been used for resistance-vs-pressure measurements as follows. A thin (200 A) coherent layer of a conductor, e.g., palladium, can be sputtered on the tip and on the anvil and electrical leads can then be attached to these at points remote from the contact area. Then a thin layer of the sample to be studied can be evaporated, sputtered, or placed on the anvil. When the indentor is pressed against the sample, the resistance changes as the pressure increases and as the contact radius increases. This paper analyzes the resistance-vs-pressure relationship for three different types of resistivity-vs-pressure behavior.

Ruoff, A. L.↗
NASA NTRS1981

Electron spectroscopy of the diamond surface

The diamond surface is studied by ionization loss spectroscopy and Auger electron spectroscopy. For surfaces heated to temperatures not exceeding 900 C, the band gap was found to be devoid of empty states in the absence of electron beam effects. The incident electron beam generates empty states in the band gap and loss of structure in the valence band for these surfaces. A cross section of 1.4 x 10 to the -19th sq cm was obtained for this effect. For surfaces heated to temperatures exceeding 900 C the spectra were identical to those from surfaces modified by the electron beam. The diamond surface undergoes a thermal conversion in its electronic structure at about 900 C.

Pepper, S. V.↗
NASA NTRS1982

Influence of fluids on the abrasion of silicon by diamond

Silicon wafers ((100)-p-type) were abraded at room temperature in acetone, absolute ethanol and water by a pyramid diamond and the resulting groove depth was measured as a function of normal force on the diamond and the absorbed fluids, while all other experimental conditions were held constant. The groove depth rates are in the ratio of 1:2:3 for water, absolute ethanol, and acetone, respectively, for a constant normal force. The groove depth rate is lower when the normal force is decreased. The silicon abraded in the presence of water was chipped as expected for a classical brittle material while the surfaces abraded in the other two fluids showed ductile ploughing as the main mechanism for silicon removal.

Danyluk, S.↗
NASA NTRS1982

Transformation of the diamond /110/ surface

The diamond surface undergoes a transformation in its electronic structure by a vacuum anneal at approximately 900 C. This transformation is characterized by the appearance of a feature in the band gap region of the energy loss spectrum. The kinetics of the transformation on the (110) surface is studied by observing the growth of this feature with time and temperature. The transformation is found to be consistent with first-order kinetics with an activation energy of 4.8 eV. It is also found that the band gap feature could be removed by exposure of the transformed surface to excited hydrogen. The results are consistent with the polished diamond (110) surface being covered with hydrogen which removes the band gap states and can be thermally desorbed at approximately 900 C.

Pepper, S. V.↗
NASA NTRS1982

Diamond /111/ studied by electron energy loss spectroscopy in the characteristic loss region

Unoccupied surface states on diamond (111) annealed at greater than 900 C are studied by electron energy loss spectroscopy with valence band excitation. A feature found at 2.1 eV loss energy is attributed to an excitation from occupied surface states into unoccupied surface states of energy within the bulk band gap. A surface band gap of approximately 1 eV is estimated. This result supports a previous suggestion for unoccupied band gap states based on core level energy loss spectroscopy. Using the valence band excitation energy loss spectrosocpy, it is also suggested that hydrogen is removed from the as-polished diamond surface by a Menzel-Gomer-Redhead mechanism.

Pepper, S. V.↗
NASA NTRS1984

Etching of diamond with argon and oxygen ion beams

The angular dependences of the sputter yield of (100) single crystal diamond under argon and oxygen ion beams were investigated. For argon ion beams a large increase in the sputter yield was observed as the angle of incidence was increased from the normal, with a maximum occurring at approximately 60 deg from the normal. The magnitude of the increase and the angle at which the maximum was observed were dependent on the ion energy and species. The shape of the yield versus angle of incidence curve indicated the presence of a highly damaged surface layer. Large deviations from this curve were observed where ion incidence was along channeling directions. Studies with oxygen ion beams showed almost no angular dependence for 500 eV ions while at an energy of 1000 eV the angular dependence was similar to that for argon ions. At normal incidence the yield for 500 eV oxygen ions was seven times larger than that for 500 eV argon ions. For 1000 eV oxygen and argon ions the corresponding ratio is only 2.5. Implications for mechanisms of inert and reactive ion etching are discussed. Application of the data to ion beam shaping of diamond tips for ultrahigh pressure research is discussed.

Whetten, T. J.↗
NASA NTRS1987

Making Optical Correctors by Diamond Turning

Large Optics Diamond Turning Machine (LODTM) at Lawrence Livermore National Laboratory used to make highly amorphic reflecting wavefront-corrector plates with rms difference between desired and measured reflector surfaces of only 0.075 wave. Measured errors correspond to one standard deviation of uncertainties in digitization and reduction of interferograms of surface. Appears accuracy of LODTM-generated surface exceeds current ability to measure it. Work demonstrates feasibility of single-point diamond turning for manufacture of generalized wavefront-control surfaces or other unusual surfaces desired by optical designers.

Meinel, Aden B.↗
NASA NTRS1987

Melting of troilite at high pressure in a diamond cell by laser heating

A system for measuring melting temperatures at high pressures is described. The sample is heated with radiation from a YAG laser. The beam is reflected downward through a microscope objective, through the upper diamond anvil, and focused onto the sample. Hense, intense heating is produced only at the sample and not within the diamond anvils. A vidicon system is used to observe the sample during heating. Incandescent light from the heated sample passes back through the objective lens into a grating spectrometer. The spectrum of the incandescent light is received by the photodiode array and stored in the multichannel analyzer. These data can then be transferred to floppy disk for analysis. A curve fitting program is used to compare the spectra with standard blackbody curves and to determine the temperature. Pressure is measured by the ruby fluorescence method. The system was used to study the melting behavior of natural troilite (FeS).

Bassett, William A.↗