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At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Simultaneous access to high normalized density, current, pressure, and confinement in strongly-shaped diverted negative triangularity plasmas

Strongly-shaped diverted negative triangularity (NT) plasmas in the DIII-D tokamak demonstrate simultaneous access to high normalized density, current, pressure, and confinement. NT plasmas are shown to exist across an expansive parameter space compatible with high fusion power production, revealing surprisingly good core stability properties that compare favorably to conventional positive triangularity plasmas in DIII-D. Non-dimensionalizing the key parameters, expanded operating spaces featuring edge safety factors below 3, normalized betas above 3, Greenwald density fractions above 1, and high-confinement mode (H-mode) confinement qualities above 1 are observed, even simultaneously, and all with a robustly stable edge free from deleterious edge-localized mode instabilities. Scaling of the confinement time with engineering parameters reveals at least a linear dependence on plasma current although with significant power degradation, both in excess of expected H-mode scalings. These results increase confidence that NT plasmas are a viable approach to realize fusion power and open directions for future detailed study.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Neutron scattering study of tantalum dihydride

A single-phase sample of Ta H 2.2 ( 1 ) with a hexagonal close-packed metal lattice (hcp; space group P 6 3 / m m c ) was synthesized under a hydrogen pressure of 9 GPa and a temperature of 100 °C; quenched to the liquid nitrogen temperature; recovered to ambient pressure and studied by neutron diffraction (ND) and inelastic neutron scattering (INS). The ND study showed that hydrogen atoms occupied one half of the tetrahedral (T) and all octahedral (O) interstitial sites in the hcp lattice of Ta atoms. The arrangement of the H atoms over the T sites was proven to be ordered, which lowered the symmetry of the full crystal structure of the dihydride to P 6 3 m c . Due to the resulting asymmetry in the local environment of the O sites, the H atoms were considerably displaced from the centers of these sites along the z axis, away from the H atoms occupying the neighboring T sites. The INS study demonstrated that the potential wells for H atoms at both the T and O sites are highly anharmonic and anisotropic. Thus it is shown that the potential wells at the O sites are softer along the z axis than in the x , y plane, while the T sites show opposite anisotropy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Materials Data on P4S7 by Materials Project

P4S7 is High Pressure (4-7GPa) Tellurium structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four P4S7 clusters. there are four inequivalent P+3.50+ sites. In the first P+3.50+ site, P+3.50+ is bonded in a water-like geometry to two S2- atoms. Both P–S bond lengths are 2.12 Å. In the second P+3.50+ site, P+3.50+ is bonded in a water-like geometry to two S2- atoms. Both P–S bond lengths are 2.12 Å. In the third P+3.50+ site, P+3.50+ is bonded to four S2- atoms to form corner-sharing PS4 tetrahedra. There are a spread of P–S bond distances ranging from 1.93–2.14 Å. In the fourth P+3.50+ site, P+3.50+ is bonded to four S2- atoms to form corner-sharing PS4 tetrahedra. There are a spread of P–S bond distances ranging from 1.93–2.13 Å. There are seven inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two P+3.50+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two P+3.50+ atoms. In the third S2- site, S2- is bonded in a water-like geometry to two P+3.50+ atoms. In the fourth S2- site, S2- is bonded in a water-like geometry to two P+3.50+ atoms. In the fifth S2- site, S2- is bonded in a single-bond geometry to one P+3.50+ atom. In the sixth S2- site, S2- is bonded in a single-bond geometry to one P+3.50+ atom. In the seventh S2- site, S2- is bonded in a water-like geometry to two P+3.50+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Br2O by Materials Project

OBr2 is High Pressure (4-7GPa) Tellurium structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of four bromoether molecules. O is bonded in a bent 120 degrees geometry to two Br atoms. There is one shorter (1.87 Å) and one longer (1.98 Å) O–Br bond length. There are two inequivalent Br sites. In the first Br site, Br is bonded in a single-bond geometry to one O atom. In the second Br site, Br is bonded in a single-bond geometry to one O atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Si3PH9 by Materials Project

(SiH3)3P is High Pressure (4-7GPa) Tellurium structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four phosphine, trisilyl- molecules. there are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded to one P5+ and three H+0.78+ atoms to form corner-sharing SiPH3 tetrahedra. The Si–P bond length is 2.26 Å. All Si–H bond lengths are 1.49 Å. In the second Si4- site, Si4- is bonded to one P5+ and three H+0.78+ atoms to form corner-sharing SiPH3 tetrahedra. The Si–P bond length is 2.26 Å. All Si–H bond lengths are 1.49 Å. In the third Si4- site, Si4- is bonded to one P5+ and three H+0.78+ atoms to form corner-sharing SiPH3 tetrahedra. The Si–P bond length is 2.26 Å. There is two shorter (1.49 Å) and one longer (1.50 Å) Si–H bond length. P5+ is bonded in a distorted T-shaped geometry to three Si4- atoms. There are nine inequivalent H+0.78+ sites. In the first H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si4- atom. In the second H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si4- atom. In the third H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si4- atom. In the fourth H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si4- atom. In the fifth H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si4- atom. In the sixth H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si4- atom. In the seventh H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si4- atom. In the eighth H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si4- atom. In the ninth H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si4- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PdC2S2(O4F)2 by Materials Project

PdC2S2(O4F)2 is High Pressure (4-7GPa) Tellurium structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four PdC2S2(O4F)2 clusters. Pd2+ is bonded in a square co-planar geometry to two C4+ and two O2- atoms. There is one shorter (1.92 Å) and one longer (1.93 Å) Pd–C bond length. Both Pd–O bond lengths are 2.05 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted single-bond geometry to one Pd2+ and one O2- atom. The C–O bond length is 1.14 Å. In the second C4+ site, C4+ is bonded in a distorted single-bond geometry to one Pd2+ and one O2- atom. The C–O bond length is 1.14 Å. There are two inequivalent S4+ sites. In the first S4+ site, S4+ is bonded in a tetrahedral geometry to three O2- and one F1- atom. There are a spread of S–O bond distances ranging from 1.43–1.52 Å. The S–F bond length is 1.61 Å. In the second S4+ site, S4+ is bonded in a tetrahedral geometry to three O2- and one F1- atom. There are a spread of S–O bond distances ranging from 1.43–1.51 Å. The S–F bond length is 1.61 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pd2+ and one S4+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pd2+ and one S4+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S4+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one S4+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one S4+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one S4+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one S4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one S4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H4CSN2 by Materials Project

CN2H4S is High Pressure Cadmuum Telluride-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. The structure is zero-dimensional and consists of two thiourea molecules. C4+ is bonded in a distorted trigonal planar geometry to two equivalent N3- and one S2- atom. Both C–N bond lengths are 1.35 Å. The C–S bond length is 1.69 Å. N3- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. There is one shorter (1.01 Å) and one longer (1.02 Å) N–H bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. S2- is bonded in a single-bond geometry to one C4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on XeF6 by Materials Project

XeF6 is High Pressure (4-7GPa) Tellurium structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of four XeF6 clusters. there are four inequivalent Xe sites. In the first Xe site, Xe is bonded to seven F atoms to form distorted corner-sharing XeF7 pentagonal bipyramids. There are a spread of Xe–F bond distances ranging from 1.98–2.38 Å. In the second Xe site, Xe is bonded to seven F atoms to form distorted corner-sharing XeF7 pentagonal bipyramids. There are a spread of Xe–F bond distances ranging from 1.97–2.39 Å. In the third Xe site, Xe is bonded in a 7-coordinate geometry to seven F atoms. There are a spread of Xe–F bond distances ranging from 1.98–2.51 Å. In the fourth Xe site, Xe is bonded in a 7-coordinate geometry to seven F atoms. There are a spread of Xe–F bond distances ranging from 1.98–2.42 Å. There are twenty-four inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Xe atom. In the second F site, F is bonded in a single-bond geometry to one Xe atom. In the third F site, F is bonded in a single-bond geometry to one Xe atom. In the fourth F site, F is bonded in a single-bond geometry to one Xe atom. In the fifth F site, F is bonded in a single-bond geometry to one Xe atom. In the sixth F site, F is bonded in a bent 120 degrees geometry to two Xe atoms. In the seventh F site, F is bonded in a bent 120 degrees geometry to two Xe atoms. In the eighth F site, F is bonded in a single-bond geometry to one Xe atom. In the ninth F site, F is bonded in a single-bond geometry to one Xe atom. In the tenth F site, F is bonded in a single-bond geometry to one Xe atom. In the eleventh F site, F is bonded in a single-bond geometry to one Xe atom. In the twelfth F site, F is bonded in a single-bond geometry to one Xe atom. In the thirteenth F site, F is bonded in a single-bond geometry to one Xe atom. In the fourteenth F site, F is bonded in a single-bond geometry to one Xe atom. In the fifteenth F site, F is bonded in a single-bond geometry to one Xe atom. In the sixteenth F site, F is bonded in a bent 120 degrees geometry to two Xe atoms. In the seventeenth F site, F is bonded in a bent 120 degrees geometry to two Xe atoms. In the eighteenth F site, F is bonded in a single-bond geometry to one Xe atom. In the nineteenth F site, F is bonded in a single-bond geometry to one Xe atom. In the twentieth F site, F is bonded in a single-bond geometry to one Xe atom. In the twenty-first F site, F is bonded in a single-bond geometry to one Xe atom. In the twenty-second F site, F is bonded in a single-bond geometry to one Xe atom. In the twenty-third F site, F is bonded in a single-bond geometry to one Xe atom. In the twenty-fourth F site, F is bonded in a single-bond geometry to one Xe atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H3SNO4 by Materials Project

NH3SO4 is High Pressure (4-7GPa) Tellurium structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four sulfooxyazanium molecules. N1- is bonded to three H1+ and one O2- atom to form distorted NH3O tetrahedra that share a cornercorner with one SO4 tetrahedra. All N–H bond lengths are 1.05 Å. The N–O bond length is 1.43 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share a cornercorner with one NH3O tetrahedra. There are a spread of S–O bond distances ranging from 1.44–1.71 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one N1- and one S6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on S2Xe(O3F)2 by Materials Project

XeS2(O3F)2 is High Pressure (4-7GPa) Tellurium structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four XeS2(O3F)2 clusters. Xe is bonded in a linear geometry to two O atoms. There are one shorter (2.25 Å) and one longer (2.26 Å) Xe–O bond lengths. There are two inequivalent S sites. In the first S site, S is bonded in a tetrahedral geometry to three O and one F atom. There is two shorter (1.43 Å) and one longer (1.55 Å) S–O bond length. The S–F bond length is 1.60 Å. In the second S site, S is bonded in a tetrahedral geometry to three O and one F atom. There is two shorter (1.43 Å) and one longer (1.54 Å) S–O bond length. The S–F bond length is 1.60 Å. There are six inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Xe and one S atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Xe and one S atom. In the third O site, O is bonded in a single-bond geometry to one S atom. In the fourth O site, O is bonded in a single-bond geometry to one S atom. In the fifth O site, O is bonded in a single-bond geometry to one S atom. In the sixth O site, O is bonded in a single-bond geometry to one S atom. There are two inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one S atom. In the second F site, F is bonded in a single-bond geometry to one S atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Co(O2F)2 by Materials Project

CoF2O4 is High Pressure (4-7GPa) Tellurium structured and crystallizes in the orthorhombic Pca2_1 space group. The structure is zero-dimensional and consists of four CoF2O4 clusters. Co is bonded in an octahedral geometry to four O and two F atoms. There are a spread of Co–O bond distances ranging from 1.75–1.79 Å. Both Co–F bond lengths are 1.84 Å. There are four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Co atom. In the second O site, O is bonded in a single-bond geometry to one Co atom. In the third O site, O is bonded in a single-bond geometry to one Co atom. In the fourth O site, O is bonded in a single-bond geometry to one Co atom. There are two inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Co atom. In the second F site, F is bonded in a single-bond geometry to one Co atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UCl2O13 by Materials Project

UO13Cl2 is High Pressure (4-7GPa) Tellurium structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four UO13Cl2 clusters. U is bonded to seven O atoms to form distorted UO7 pentagonal bipyramids that share corners with two ClO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.85–2.50 Å. There are thirteen inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one U atom. In the second O site, O is bonded in a single-bond geometry to one U atom. In the third O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.45 Å. In the fourth O site, O is bonded in a single-bond geometry to one U atom. In the fifth O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.44 Å. In the sixth O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.46 Å. In the seventh O site, O is bonded in a single-bond geometry to one U atom. In the eighth O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.44 Å. In the ninth O site, O is bonded in a distorted bent 120 degrees geometry to one U and one Cl atom. The O–Cl bond length is 1.50 Å. In the tenth O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.45 Å. In the eleventh O site, O is bonded in a single-bond geometry to one U atom. In the twelfth O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.45 Å. In the thirteenth O site, O is bonded in a distorted bent 120 degrees geometry to one U and one Cl atom. The O–Cl bond length is 1.50 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded to four O atoms to form ClO4 tetrahedra that share a cornercorner with one UO7 pentagonal bipyramid. In the second Cl site, Cl is bonded to four O atoms to form ClO4 tetrahedra that share a cornercorner with one UO7 pentagonal bipyramid.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Te by Materials Project

Te is High Pressure (4-7GPa) Tellurium structured and crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are two inequivalent Te sites. In the first Te site, Te is bonded to six Te atoms to form a mixture of distorted edge and corner-sharing TeTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of Te–Te bond distances ranging from 3.06–3.46 Å. In the second Te site, Te is bonded to six Te atoms to form a mixture of distorted edge and corner-sharing TeTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. Both Te–Te bond lengths are 3.13 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AuNCl3 by Materials Project

AuNCl3 is High Pressure (4-7GPa) Tellurium structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four AuNCl3 clusters. Au5+ is bonded in a rectangular see-saw-like geometry to one N2- and three Cl1- atoms. The Au–N bond length is 1.93 Å. There are two shorter (2.31 Å) and one longer (2.35 Å) Au–Cl bond lengths. N2- is bonded in a single-bond geometry to one Au5+ atom. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Au5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Au5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Au5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2024

GEESS as a Mechanism to Facilitate the Commercialization of Geologic Carbon Sequestration

This is a presentation featuring an overview of the Geoanalytical Economic Evaluation of Saline Storage (GEESS) project and latest results. The GEESS project has worked towards characterizing 57 geologic saline formations targeted for geologic carbon sequestration (GCS) using publicly available datasets. The GEESS system consists of high spatial resolution datasets (up to a 5 km grid spacing) that characterize critical geologic parameters such as depth, thickness, porosity, permeability, fracture pressure, and more. Further, GEESS geologic data were exercised using the FECM/NETL Saline Storage Cost Model (CO2_S_COM) to estimate CO2 plume sizes and the first-year break-even price of CO2 at the grid point level. GEESS is now available on NETL’s Energy Data Exchange (EDX).

Eppink, Jeffrey↗
DOE OSTI2021

A Compact Gas Liquid Separator for the Spallation Neutron Source Mercury Process Loop

Upgrades at the spallation neutron source (SNS) accelerator at Oak Ridge National Laboratory are underway to double its proton beam power from 1.4 to 2.8 MW. About 2 MW will go to the current first station while the rest will go to the future Second Target Station. The increase of beam power to the first target station is especially challenging for its mercury target. When the short proton beam hits the target, strong pressure waves are generated, causing cavitation erosion and challenging stresses for the target's weld regions. SNS has successfully operated reliably at 1.4 MW by mitigating the pressure wave with the injection of small Helium bubbles into the mercury. To operate reliably at 2 MW, more gas will be injected into mercury to mitigate the pressure wave further. However, the mercury process loop was not originally designed for gas injection, and the accumulation of gas in the pipes is a concern. Due to space constraints, a custom gas liquid separator (GLS) was designed to fit a 90-deg horizontal elbow space in the SNS mercury loop. Simulations and experiments were performed, and a successful design was developed that has the desired efficiency while keeping the pressure losses acceptable.

42 ENGINEERING↗
DOE OSTI2025

Continuous Evolution of Eu 2+ /Eu 3+ Mixed Valency Driven by Pressure and Temperature

Continuous mixed valency involving Eu 2+ and Eu 3+ in Eu 4 Bi 6 Se 13 can be induced under applied pressure or at reduced temperatures. The monoclinic structure of Eu 4 Bi 6 Se 13 , crystallizing in the P2 1 /m space group (No. 11), features linear chains of Eu atoms aligned along the b-axis. Magnetic susceptibility measurements, conducted both parallel and perpendicular to the b-axis and analyzed using Curie–Weiss theory, alongside high-pressure partial fluorescence yield (PFY) data from X-ray absorption spectroscopy (XAS), indicate the material’s propensity to adopt a mixed-valent state. Within this state, the trivalent Eu 3+ configuration becomes increasingly favored as the pressure rises or the temperature decreases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Chemistry-mediated Ostwald ripening in carbon-rich C/O systems at extreme conditions

Abstract There is significant interest in establishing a capability for tailored synthesis of next-generation carbon-based nanomaterials due to their broad range of applications and high degree of tunability. High pressure (e.g., shockwave-driven) synthesis holds promise as an effective discovery method, but experimental challenges preclude elucidating the processes governing nanocarbon production from carbon-rich precursors that could otherwise guide efforts through the prohibitively expansive design space. Here we report findings from large scale atomistically-resolved simulations of carbon condensation from C/O mixtures subjected to extreme pressures and temperatures, made possible by machine-learned reactive interatomic potentials. We find that liquid nanocarbon formation follows classical growth kinetics driven by Ostwald ripening (i.e., growth of large clusters at the expense of shrinking small ones) and obeys dynamical scaling in a process mediated by carbon chemistry in the surrounding reactive fluid. The results provide direct insight into carbon condensation in a representative system and pave the way for its exploration in higher complexity organic materials. They also suggest that simulations using machine-learned interatomic potentials could eventually be employed as in-silico design tools for new nanomaterials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗