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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Metastability and Ostwald step rule in the crystallisation of diamond and graphite from molten carbon

Abstract Experimental challenges in determining the phase diagram of carbon at temperatures and pressures near the graphite-diamond-liquid triple point are often related to the persistence of metastable crystalline or glassy phases, superheated crystals, or supercooled liquids. A deeper understanding of the crystallisation kinetics of diamond and graphite is crucial for effectively interpreting the outcomes of these experiments. Here, we reveal the microscopic mechanisms of diamond and graphite nucleation from liquid carbon through molecular simulations with first-principles machine learning potentials. Our simulations accurately reproduce the experimental phase diagram of carbon near the triple point and show that liquid carbon crystallises spontaneously upon cooling. Metastable graphite crystallises in the domain of diamond thermodynamic stability at pressures above the triple point. Furthermore, whereas diamond crystallises through a classical nucleation pathway, graphite follows a two-step process in which low-density fluctuations forego ordering. Calculations of the nucleation rates of the two competing phases confirm this result and reveal a manifestation of Ostwald’s step rule, where the strong metastability of graphite hinders the transformation to the stable diamond phase. Our results provide a key to interpreting melting and recrystallisation experiments and shed light on nucleation kinetics in polymorphic materials with deep metastable states.

Science & Technology - Other Topics↗
DOE OSTI2026

Plasma-assisted atomic layer etching of single-crystal diamond

Applications of near-surface nitrogen-vacancy (NV) centers in diamond are often limited by surface defects created during processing. Understanding and controlling plasma-induced surface damage is important for preserving the optical and spin properties of diamond NV centers. We report molecular dynamics simulations of a novel form of plasma-aided atomic layer etching of diamond. In this proposed scheme, the initial surface modification step consists of Ar + ion bombardment. This creates an amorphous layer at the surface, the thickness of which is controlled by the ion energy. Amorphization is known to help smooth the surface, at least locally, and would also serve to sputter clean an initially contaminated surface. A second step impacts the amorphous carbon layer with O + between about 1 and 5 eV. Simulations show that this energy range will remove the amorphous carbon but will not etch the underlying diamond. Though this energy range is not trivial to achieve in a conventional low-temperature plasma, potential methods for creating these low-energy O + ions are discussed. In addition to a-C etching, the O + impacts are predicted to remove any isolated (100) diamond terraces by selectively attacking the edges of the terraces. The proposed atomic layer etching (ALE) approach reverses the conventional ALE sequence in which the surface modification step is usually chemical modification (oxidation in this case), followed by a removal step using Ar + impacts. This plasma ALE procedure is predicted to create a diamond surface that is atomically flat and defect free.

Draney, J. S. [Princeton University, NJ (United St↗
DOE OSTI2024

Methods for Color Center Preserving Hydrogen‐Termination of Diamond

Abstract Chemical functionalization of diamond surfaces by hydrogen is an important method for controlling the charge state of near‐surface fluorescent color centers, an essential process in fabricating devices such as diamond field‐effect transistors and chemical sensors, and a required first step for realizing families of more complex terminations through subsequent chemical processing. In all these cases, termination is typically achieved using hydrogen plasma sources that can etch or damage the diamond, as well as deposited materials or embedded color centers. This work explores alternative methods for lower‐damage hydrogenation of diamond surfaces, specifically the annealing of diamond samples in high‐purity, non‐explosive mixtures of nitrogen and hydrogen gas, and the exposure of samples to microwave hydrogen plasmas in the absence of intentional stage heating. The effectiveness of these methods are characterized by x‐ray photoelectron spectroscopy (XPS), and comparison of the results to density‐functional modelling of the surface hydrogenation energetics implicates surface oxygen ligands as the primary factor limiting the termination quality of annealed samples. Finally, photoluminescence (PL) spectroscopy is used to verify that both the annealing and reduced sample temperature plasma methods are non‐destructive to near‐surface ensembles of nitrogen‐vacancy (NV) centers, in stark contrast to plasma treatments that use heated sample stages.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Physical Modeling and Design of a Nonvolatile Optically Gated High‐Power Diamond Transistor

In this work, we present the theory and modeling framework of a diamond optically gated junction field‐effect transistor (DOGFET). The device utilizes nitrogen substitutional centers in type‐1b diamond to optically modulate a p‐ boron doped diamond channel. Using sub‐gap lasers with intensities as low as 100 W/cm 2 , electrons are optically excited from substitutional nitrogen sites to the conduction band of the diamond substrate, thus enabling the optical gate to exercise control on modulating the space‐charge region at the junction and therefore the channel conductivity. We show that the device can deliver a current of 7 μA/μm, or equivalently 1750 A/cm 2 , while switching at a frequency greater than 100 kHz, in a form factor of 5 μm 2 . The breakdown voltage is found to be greater than 1850 V, with a breakdown field strength of ~13 MV/cm. Moreover, the device supports nonvolatile operation with a “memory effect” enabling single transistor state retention. The presented simulation framework provides a physically grounded insight into the limits and opportunities of optoelectronic diamond systems.

Engineering - Electronic and electrical engineerin↗
DOE OSTI2025

Scintillation properties of diamond powders and feasibility of using them in thermal neutron detectors

Diamond offers unique properties for radiation detection, including high radiation hardness, very low gamma sensitivity, and fast response. Conventional diamond detectors rely on charge collection, but this approach requires ultra-pure single crystals and suffers from radiation-induced degradation. Here, in this work, we demonstrate an alternative approach using diamonds as scintillators for detection of charged particles and thermal neutrons. Prototypes were fabricated from commercially available diamond powders bonded to glass substrates and coupled with 6 LiF converters and silicon photomultipliers (SiPMs) and conventional PMTs. We characterized their scintillation properties under alpha particle excitation, x-ray photoluminescence, and thermal neutrons. The tryout detectors exhibit strong scintillation light signals, nanosecond-scale response times, and neutron detection efficiencies up to approximately 14 %, evaluated by comparison to conventional 3 He detector with known efficiency. These results demonstrate the feasibility of cost-effective, lightweight and robust diamond scintillation detectors for applications in space and planetary science, nuclear security, safeguards and environmental monitoring requiring efficient, robust, gamma-blind neutron detectors.

47 OTHER INSTRUMENTATION↗
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

Response of fs-Laser-Irradiated Diamond by Ultrafast Electron Diffraction

Structural details of the proposed solid–liquid phase transition of carbon have remained elusive, despite years of study. While it is theorized that novel carbon materials form from a liquid precursor, experimental studies have lacked the temporal and spatial resolution necessary to fully characterize the purported liquid state. Here, in this work, we utilize megaelectronvolt-ultrafast electron diffraction (MeV-UED) to study laser irradiated submicron diamond thin films in a pump–probe scheme with picosecond time resolution to visualize potential structural changes of excited diamond. We probe the structure of diamond using a combination of fluences (13, 40 J/cm 2 ) and time delays (10, 25, 100 ps), but observe negligible changes in the static diffraction pattern of diamond and an overall decrease in diffraction intensity up to 100 ps after the excitation pulse. We thus conclude that no appreciable amount of liquid or graphitized carbon is present and highlight the structural resilience of bulk diamond to intense 800 nm ultrafast laser pulses.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Thin-film lithium niobate on diamond as a platform for efficient spin-phonon coupling

Negatively charged silicon vacancy (SiV − ) centers in diamond are leading candidates for solid-state quantum memory that can be controlled using electromagnetic or acoustic waves. The latter are particularly promising due to the strong strain response of SiV − , enabling large spin-phonon interaction strengths. Indeed, coherent spin control via surface acoustic waves (SAWs) has been demonstrated and is essential for developing on-chip phononic quantum networks. However, the absence of piezoelectricity in diamond requires an interface with a piezoelectric material for efficient transduction and delivery of acoustic waves to spins in diamonds. Here, we demonstrate a heterogeneously integrated phononic platform that combines thin-film lithium niobate with diamond to enable acoustic control of single SiV − spins. Additionally, leveraging large SAW-induced strain at the location of SiV − , we achieve coherent acoustic control of an electron spin with more than twofold improvement in Rabi frequency compared to state-of-the-art devices based on aluminum nitride on diamond. Furthermore, this work represents a crucial step towards realizing phonon-based quantum information processing systems.

Optically detected magnetic resonance↗
DOE OSTI2025

Athermal phonon collection efficiency in diamond crystals for low mass dark matter detection

Here, we explored the efficacy of lab-grown diamonds as potential target materials for the direct detection of sub-GeV dark matter (DM) using metallic magnetic calorimeters (MMCs). Diamond, with its excellent phononic properties and the low atomic mass of the constituent carbon, can play a crucial role in detecting low mass dark matter particles. The relatively long electron-hole pair lifetime inside the crystal may provide discrimination power between the DM-induced nuclear recoil events and the background-induced electron recoil events. Utilizing the fast response times of the MMCs and their unique geometric versatility, we deployed a novel methodology for quantifying phonon dynamics inside diamond crystals. We demonstrated that lab-grown diamond crystals fabricated via the chemical vapor deposition (CVD) technique can satisfy the stringent quality requirements for sub-GeV dark matter searches. The high-quality polycrystalline CVD diamond showed a superior athermal phonon collection efficiency compared to that of the reference sapphire crystal, and achieved energy resolution 62.7 eV at the 8.05 keV copper fluorescence line. With this energy resolution, we explored the low-energy range below 100 eV and confirmed the existence of so-called low-energy excess (LEE) reported by multiple cryogenic experiments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Formation of a Boron-Oxide Termination for the (100) Diamond Surface

A boron-oxide termination of the diamond (100) surface has been formed by depositing molecular boron oxide B 2 O 3 onto the hydrogen-terminated (100) diamond surface under ultrahigh vacuum conditions and annealing to 950 °C. The resulting termination is highly oriented and chemically homogeneous, although further optimization is required to increase the surface coverage beyond the 0.4 monolayer coverage achieved here. This work demonstrates the possibility of using molecular deposition under ultrahigh vacuum conditions for complex surface engineering of the diamond surface, and may be a first step in an alternative approach to fabricating boron doped delta layers in diamond.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Charge collection efficiency of diamond and silicon sensors irradiated with alpha particles

To evaluate the viability of using semiconductors as sensor materials in a detector for the Associated Particle Imaging technique, the radiation hardness of silicon and diamond diodes to alpha particles has been assessed. Here, the detector lifetimes for both silicon and diamond sensors were measured under the prolonged exposure to alpha particles emitted by an 241 Am source. The silicon detector was exposed to alpha radiation for approximately two months, reaching an accumulated fluence of ~ 1.5 x 10 12 α cm –2 . Additionally, by using a high purity single-crystal diamond with coplanar electrodes operating with full charge collection, the diamond detector response was measured over approximately ten months reaching an accumulated fluence of over 6 x 10 12 α cm –2 cm.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Purcell-Enhanced Emissions from Diamond Color Centers in Slow Light Photonic Crystal Waveguides

Diamond color centers are promising candidates for optically addressable quantum memories, which motivates the development of efficient photonic interfaces, often using nanophotonic cavities with narrow spectral line widths and small mode volumes. However, they require perfect spectral and spatial overlap between the cavity mode and quantum emitter, which is challenging. This is especially true for solid-state quantum emitters that are often randomly positioned and suffer from inhomogeneous broadening. Another approach to enhance light-matter interaction across large optical bandwidths and areas is using slow light waveguides. Here, in this study, we demonstrate diamond slow light photonic crystal (PhC) waveguides optically coupled to embedded silicon-vacancy (SiV) color centers. We use the recently developed thin-film diamond approach to fabricate fully suspended two-dimensional PhC waveguides. We demonstrate waveguide modes with high group indices up to 70 and observe Purcell-enhanced emissions of the SiVs. Our approach represents a practical diamond platform for robust spin-photon interfaces with color centers.

2D photonic crystal waveguide↗
DOE OSTI2024

Large Diffraction-Grade Single Crystal Diamond for Applications at New Generation Synchrotron and FEL X-Ray Sources

As a result of increasing performance of synchrotron and free-electron laser x-ray sources for high-flux applications, a new generation of optics is needed that can support the high energy densities utilized. To achieve this, the Department of Energy (DOW) has sought a commercially available, US-sourced supply of this material. Through a collaborative effort led by WD Advanced Materials (WD AM), in coordination with Euclid Beamlabs and Applied Diamond, Inc., and supported by Argonne National Laboratory, an effort has been made to begin the creation of such a diamond optic supply. Key material and optic parameters were identified, as well as characterization methods. A process of diamond synthesis that satisfies both extrinsic and intrinsic needs of the optics was formulated and demonstrated, and necessary steps to achieve high-quality epitaxy were evaluated and tested. Results of the first steps of this program are provided herein, as well as recommendations for a follow-up effort to complete the program and establish the needed supply of diamond optics for DOE x-ray applications.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Focused ion beam milling of polycrystalline diamond

Focused ion beam (FIB) technology has a large potential for precise milling of ultrahard materials such as diamond. However, studies of the sputtering of diamond with ion species and energies relevant to the FIB technology are scarce. Here, we report a systematic study of the sputtering of polycrystalline diamond surfaces with ion beams in a wide range of ion energies (2 - 30 keV), incident beam angles (0 - 80°), and ion masses (N, O, Ar, and Xe). Results show that the sputter yield is relatively insensitive to ion energy but strongly depends on the ion species and incident beam angles. Bombardment with O ions results in sputter yields that are significantly larger than ballistic predictions due to chemical etching effects. Characteristic surface ripples develop for oblique beam incidence angle irradiation. The critical beam tilt angle for the onset of ripple formation and the wavelength of the ripples depend on ion species and energies. Ripples appear to suppress ion reflection at high beam tilt angles and, hence, a peak in the sputter yield angular dependence. In conclusion, these results have direct implications for the development of process parameter maps for high-precision ion-beam milling of diamond.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Heterogenous Integration of Boron-Doped p -Diamond with Monolayer n -MoS 2 for PN Junctions Operating at Room Temperature

Diamond has tremendous potential for power electronics, due to its superior thermal conductivity, large electric field strength, and high carrier mobilities. However, the absence of a reliable room temperature n-type transport has impeded any advancements in diamond-based electronics. Here, we circumvent this bottleneck by integrating n-type two-dimensional (2D) monolayers of molybdenum disulfide (MoS 2 ) with boron doped p-type single crystal diamond and demonstrate 2D/3D heterostructure-based PN junction diodes that operate at room temperature with excellent rectification characteristics. Our diodes achieve a maximum forward current density (J D ) of ∼4000 A/cm 2 , an ideality factor (η) value of ∼3.7, and a rectification ratio (RR) of 10 6 . We find that the origin of current rectification stems from the interlayer recombination of majority carriers driven by direct tunnelling (DT) and Fowler Nordheim (FN) tunnelling mechanisms. In conclusion, our demonstration can open new avenues for diamond-based power electronics through its integration with 2D materials.

2D/3D integration↗
DOE OSTI2026

Ultrafast vertical photoconductive intrinsic diamond switch with high current (17.1 A at 1 kV)

Here, this Letter reports on a vertical, bulk-conducting photoconductive semiconductor switch (PCSS) fabricated on an intrinsic Type IIa single-crystal diamond substrate. Under near-bandgap excitation at 225 nm with a 20 μ J pulse, a strong photocurrent response of 17.1 A at 1 kV DC bias magnitude is obtained by (i) tuning the optical trigger wavelength to the “matched-absorption” window (224–235 nm) near the band edge, where the optical penetration depth becomes comparable to the 500 μ m substrate thickness, and (ii) choosing the bias polarity ensuring electron-dominant conduction, given that electrons have a higher mobility than holes in diamond. The PCSS has an area-normalized responsivity of 54.2 mA W −1 cm −2 and an effective on-resistance of 8.48 Ω, with a fast 90%–10% transient fall time of 25 ns, attributed to carrier sweep-out. These results support vertical, bulk-conducting intrinsic diamond PCSS as a promising platform for high-power optical switching and provide new insight into intrinsic photoconductivity in diamond.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Bottom-up fabrication of scalable room-temperature diamond quantum computing and sensing technologies

The nitrogen-vacancy (NV) centre in diamond is a premier solid-state defect for quantum information processing and metrology. An integrated diamond quantum device harnesses the collective properties of multiple NV centres, enabling room-temperature quantum computing and sensing. While large-scale devices are poised to fill an important gap in the burgeoning quantum technology landscape, their practical realisation has not been achieved using current top-down fabrication techniques such as ion implantation. Consequently, this necessitates the development of a bottom-up fabrication technique, which is scalable, deterministic, and possesses atomic-scale precision. Informed by existing methods for fabricating phosphorous defect qubits in silicon, we envision a hydrogen depassivation lithography technique for atomically-precise manufacturing of nitrogen-vacancy centres in diamond. This perspective article outlines a viable multi-step procedure for realising scalable fabrication of diamond quantum devices and identifies the key challenges in its development.

CVD↗
DOE OSTI2026

Defect in diamond with millisecond-scale spin relaxation time at room temperature

Spin defects in diamond are promising platforms for quantum sensing. The longest electron spin relaxation times (T1) at room temperature for solid-state defects are observed in nitrogen vacancy centers in diamond, which can reach 6.67 ms [1], and substitutional nitrogen (“P1 centers”) in diamond, which exhibit a T1 of 2 ms [2]. No other solid-state defect has exhibited millisecond-scale spin relaxation times at room temperature thus far. Here, we characterize the spin properties of the WAR5 defect in diamond [3] with pulsed electron spin resonance. The observed T1 is one of the longest for solid-state spin defects: 0.97(27) ms at room temperature and 14.38(19) min at 4 K. The observed coherence time (T2) is 246(7) µs, which can be extended to 6.49(34) ms at 4 K with dynamical decoupling. Finally, we demonstrate optical spin polarization with a range of wavelengths from 405 nm to 500 nm and propose potential zero-phonon line candidates.

36 MATERIALS SCIENCE↗