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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Highly ordered graphite (HOPG) to hexagonal diamond (lonsdaleite) phase transition observed on picosecond time scales using ultrafast x-ray diffraction

Here, the response of rapidly compressed highly oriented pyrolytic graphite (HOPG) normal to its basal plane was investigated at a pressure of ~80 GPa. Ultrafast x-ray diffraction using ~100 fs pulses at the Materials Under Extreme Conditions sector of the Linac Coherent Light Source was used to probe the changes in crystal structure resulting from picosecond timescale compression at laser drive energies ranging from 2.5 to 250 mJ. A phase transformation from HOPG to a highly textured hexagonal diamond structure is observed at the highest energy, followed by relaxation to a still highly oriented, but distorted graphite structure following release. We observe the formation of a highly oriented lonsdaleite within 20 ps, subsequent to compression. This suggests that a diffusionless martensitic mechanism may play a fundamental role in phase transition, as speculated in an early work on this system, and more recent static studies of diamonds formed in impact events.

58 GEOSCIENCES↗
DOE OSTI2019

Plasma-Chemical Deposition of Diamond-Like Films onto the Surface of Heavily Doped Single-Crystal Diamond

The plasma-chemical deposition of diamond-like carbon (DLC) films onto heavily boron-doped single-crystal p-type diamond (the concentration ~10{sup 20} cm{sup –3}) in CH{sub 4} + Ar plasma is conducted. The deposition rate is 7 nm min{sup –1}. The elemental composition and properties of the films are studied in detail. It is found that the films are enriched with hydrogen, possess a density of 2.4 g cm{sup –3}, and exhibit an ultrasmooth surface (with a roughness of 0.4 ± 0.2 nm).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Ultralow Thermal Conductivity in Diamond-Like Semiconductors: Selective Scattering of Phonons from Antisite Defects

In this work, we discover anomalously low lattice thermal conductivity (<0.25 W/mK at 300 degrees C) in the Hg-containing quaternary diamond-like semiconductors within the Cu2IIBIVTe4 (IIB: Zn, Cd, Hg) (IV: Si, Ge, Sn) set of compositions. Using high-temperature X-ray diffraction, resonant ultrasound spectroscopy, and transport properties, we uncover the critical role of the antisite defects HgCu and CuHg on phonon transport within the Hg-containing systems. Despite the differences in chemistry between Hg and Cu, the high concentration of these antisite defects emerges from the energetic proximity of the kesterite and stannite cation motifs. Our phonon calculations reveal that heavier group IIB elements not only introduce low-lying optical modes, but the subsequent antisite defects also possess unusually strong point defect phonon scattering power. The scattering strength stems from the fundamentally different vibrational modes supported by the constituent elements (e.g., Hg and Cu). Despite the significant impact on the thermal properties, antisite defects do not negatively impact the mobility (>50 cm2/(Vs) at 300 degrees C) in Hg-containing systems, leading to predicted zT > 1.5 in Cu2HgGeTe4 and Cu2HgSnTe4 under optimized doping. In addition to introducing a potentially new p-type thermoelectric material, this work provides (1) a strategy to use the proximity of phase transitions to increase point defect phonon scattering, and (2) a means to quantify the power of a given point defect through inexpensive phonon calculations.

14 SOLAR ENERGY↗
DOE OSTI2016

High-pressure studies with x-rays using diamond anvil cells

Pressure profoundly alters all states of matter. The symbiotic development of ultrahigh-pressure diamond anvil cells, to compress samples to sustainable multi-megabar pressures; and synchrotron x-ray techniques, to probe materials' properties in situ, has enabled the exploration of rich high-pressure (HP) science. In this article, we first introduce the essential concept of diamond anvil cell technology, together with recent developments and its integration with other extreme environments. We then provide an overview of the latest developments in HP synchrotron techniques, their applications, and current problems, followed by a discussion of HP scientific studies using x-rays in the key multidisciplinary fields. These HP studies include: HP x-ray emission spectroscopy, which provides information on the filled electronic states of HP samples; HP x-ray Raman spectroscopy, which probes the HP chemical bonding changes of light elements; HP electronic inelastic x-ray scattering spectroscopy, which accesses high energy electronic phenomena, including electronic band structure, Fermi surface, excitons, plasmons, and their dispersions; HP resonant inelastic x-ray scattering spectroscopy, which probes shallow core excitations, multiplet structures, and spin-resolved electronic structure; HP nuclear resonant x-ray spectroscopy, which provides phonon densities of state and time-resolved Mössbauer information; HP x-ray imaging, which provides information on hierarchical structures, dynamic processes, and internal strains; HP x-ray diffraction, which determines the fundamental structures and densities of single-crystal, polycrystalline, nanocrystalline, and non-crystalline materials; and HP radial x-ray diffraction, which yields deviatoric, elastic and rheological information. Integrating these tools with hydrostatic or uniaxial pressure media, laser and resistive heating, and cryogenic cooling, has enabled investigations of the structural, vibrational, electronic, and magnetic properties of materials over a wide range of pressure-temperature conditions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

Imaging the Local Charge Environment of Nitrogen-Vacancy Centers in Diamond

Characterizing the local internal environment surrounding solid-state spin defects is crucial to harnessing them as nanoscale sensors of external fields. This is especially germane to the case of defect ensembles which can exhibit a complex interplay between interactions, internal fields, and lattice strain. Working with the nitrogen-vacancy (NV) center in diamond, we show that local electric fields dominate the magnetic resonance behavior of NV ensembles at a low magnetic field. We propose a simple microscopic model that quantitatively captures the observed spectra for samples with NV concentrations spanning more than two orders of magnitude. Motivated by this understanding, we propose and implement a new method for the nanoscale localization of individual charges within the diamond lattice; our approach relies upon the fact that the charge induces a NV dark state which depends on the electric field orientation.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1996

Properties of Diamond and Diamond-Like Clusters in Nanometric Dimensions

Variations in materials properties of small clusters of nanometric dimensions were investigated. Investigations were carried out for diamond and diamond-like particles in spherical shapes. Calculations were performed for clusters containing over 1000 carbon atoms. Results indicate that as the cluster size diminishes, (i) the average cohesive energy becomes weaker, (ii) the excess surface energy increases, and (iii) the value for stiffness decreases.

Halicioglu, Timur↗
DOE OSTI2023

Development of Large-Volume-Diamond Anvil Cell for Neutron Diffraction: The Neutron Diamond Anvil Cell Project at ORNL

10 years ago, Dave Mao, director of EFree (energy frontier research in extreme environments), a DOE energy frontier recognized the importance of neutron science for energy research. The subsequent establishment of a neutron group within EFree lead to the establishment of an “Instrument Development Team” for SNAP, the High-Pressure beamline at the Spallation Neutron Source at Oak Ridge National Laboratory in Tennessee. The idea was to develop novel high pressure techniques to expand the pressure range for neutron diffraction. A goal was set to reach half megabar levels (50 GPa), which at the time was considered as extremely challenging. Here we will give a brief overview of the developments during the last decade in this novel area of research. Fortunately, during this period multi carat diamond anvils have become available mainly by the chemical vapor deposition process (CVD), making research in this pressure range and beyond rather routine. This paper shows the latest developments in large anvil designs, compact multiple ton diamond cells and some examples of high-quality neutron diffraction patterns of sample sizes far below conventional levels.

Boehler, Reinhard↗
DOE OSTI2014

Planar ultrananocrystalline diamond field emitter in accelerator radio frequency electron injector: Performance metrics

A case performance study of a planar field emission cathode (FEC) based on nitrogen-incorporated ultrananocrystalline diamond, (N)UNCD, was carried out in an RF 1.3 GHz electron gun. The FEC was a 100 nm (N)UNCD film grown on a 20 mm diameter stainless steel disk with a Mo buffer layer. At surface gradients 45–65 MV/m, peak currents of 1–80 mA (equivalent to 0.3–25 mA/cm{sup 2}) were achieved. Imaging with two YAG screens confirmed emission from the (N)UNCD surface with (1) the beam emittance of 1.5 mm × mrad/mm-rms and (2) longitudinal FWHM and rms widths of non-Gaussian energy spread of 0.7% and 11% at an electron energy of 2 MeV. Current stability was tested over the course of 36 × 10{sup 3} RF pulses (equivalent to 288 × 10{sup 6 }GHz oscillations)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

In situ defect annealing of swift heavy ion irradiated CeO 2 and ThO 2 using synchrotron X-ray diffraction and a hydrothermal diamond anvil cell

Hydrothermal diamond anvil cells (HDACs) provide facile means for coupling synchrotron Xray techniques with pressure up to 10 GPa and temperature up to 1300 K. This manuscript reports on an application of the HDAC as an ambient-pressure sample environment for performing in situ defect annealing and thermal expansion studies of swift heavy ion irradiated CeO 2 and ThO 2 using synchrotron X-ray diffraction. The advantages of the in situ HDAC technique over conventional annealing methods include: rapid temperature ramping and quench times, high-resolution measurement capability, simultaneous annealing of multiple samples, and prolonged temperature- and apparatus stability at high temperatures. Isochronal annealing between 300 K and 1100 K revealed 2-stage and 1-stage defect recovery processes for irradiated CeO 2 and ThO 2 , respectively; indicating that the morphology of the defects produced by swift heavy ion irradiation of these two materials differs significantly. These results suggest that electronic configuration plays a major role in both the radiation-induced defect production and high temperature defect recovery mechanisms of CeO 2 and ThO 2 .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Diamonds in the Rough: Direct Surface Enhanced Infrared Spectroscopic Evidence of Nitrogen Reduction on Boron-Doped Diamond Supported Metal Catalysts

In situ investigations of electrocatalytic processes of increasing societal interest such as the nitrogen reduction reaction (NRR) re-quire aggressive experimental conditions that are not readily compatible with surface sensitive techniques such as attenuated total reflection surface enhanced infrared absorption spectroscopy (ATR-SEIRAS). A method for performing ATR-SEIRAS studies at very negative potentials where conventional IR-active films delaminate, and fail is reported. The method relies on a thin film of very robust boron-doped diamond deposited on a micromachined Si wafer, which provides extended mid-IR transparency at long wavelengths. SEIRAS activity is achieved by electrodepositing gold nanoparticles onto the conductive BDD layer. The Au@BDD layers are shown to sustain prolonged periods of electrolysis at negative potentials with no degradation of the modifying layer. The efficacy of these substrates for electrocatalysis is demonstrated by studying the reduction of N 2 at -1.5 V vs Ag/AgCl in an aqueous-based electrolyte. So under these conditions, direct spectroscopic evidence of both NH 3 and hydrazine formed from the nitrogen reduction reaction (NRR) is provided.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗