| 1. |
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| 2. |
- Fenstermacher, M.E., et al.
(author)
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DIII-D research advancing the physics basis for optimizing the tokamak approach to fusion energy
- 2022
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In: Nuclear Fusion. - : IOP Publishing. - 0029-5515 .- 1741-4326. ; 62:4
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Journal article (peer-reviewed)abstract
- DIII-D physics research addresses critical challenges for the operation of ITER and the next generation of fusion energy devices. This is done through a focus on innovations to provide solutions for high performance long pulse operation, coupled with fundamental plasma physics understanding and model validation, to drive scenario development by integrating high performance core and boundary plasmas. Substantial increases in off-axis current drive efficiency from an innovative top launch system for EC power, and in pressure broadening for Alfven eigenmode control from a co-/counter-I p steerable off-axis neutral beam, all improve the prospects for optimization of future long pulse/steady state high performance tokamak operation. Fundamental studies into the modes that drive the evolution of the pedestal pressure profile and electron vs ion heat flux validate predictive models of pedestal recovery after ELMs. Understanding the physics mechanisms of ELM control and density pumpout by 3D magnetic perturbation fields leads to confident predictions for ITER and future devices. Validated modeling of high-Z shattered pellet injection for disruption mitigation, runaway electron dissipation, and techniques for disruption prediction and avoidance including machine learning, give confidence in handling disruptivity for future devices. For the non-nuclear phase of ITER, two actuators are identified to lower the L-H threshold power in hydrogen plasmas. With this physics understanding and suite of capabilities, a high poloidal beta optimized-core scenario with an internal transport barrier that projects nearly to Q = 10 in ITER at ∼8 MA was coupled to a detached divertor, and a near super H-mode optimized-pedestal scenario with co-I p beam injection was coupled to a radiative divertor. The hybrid core scenario was achieved directly, without the need for anomalous current diffusion, using off-axis current drive actuators. Also, a controller to assess proximity to stability limits and regulate β N in the ITER baseline scenario, based on plasma response to probing 3D fields, was demonstrated. Finally, innovative tokamak operation using a negative triangularity shape showed many attractive features for future pilot plant operation.
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| 3. |
- Koemets, E., et al.
(author)
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Revealing the Complex Nature of Bonding in the Binary High-Pressure Compound FeO2
- 2021
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In: Physical Review Letters. - : AMER PHYSICAL SOC. - 0031-9007 .- 1079-7114. ; 126:10
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Journal article (peer-reviewed)abstract
- Extreme pressures and temperatures are known to drastically affect the chemistry of iron oxides, resulting in numerous compounds forming homologous series nFeOmFe(2)O(3) and the appearance of FeO2. Here, based on the results of in situ single-crystal x-ray diffraction, Mossbauer spectroscopy, x-ray absorption spectroscopy, and density-functional theory + dynamical mean-field theory calculations, we demonstrate that iron in high-pressure cubic FeO2 and isostructural FeO2H0.5 is ferric (Fe3+), and oxygen has a formal valence less than 2. Reduction of oxygen valence from 2, common for oxides, down to 1.5 can be explained by a formation of a localized hole at oxygen sites.
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| 4. |
- Bykov, Maxim, et al.
(author)
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High-Pressure Synthesis of Dirac Materials: Layered van der Waals Bonded BeN4 Polymorph
- 2021
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In: Physical Review Letters. - : AMER PHYSICAL SOC. - 0031-9007 .- 1079-7114. ; 126:17
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Journal article (peer-reviewed)abstract
- High-pressure chemistry is known to inspire the creation of unexpected new classes of compounds with exceptional properties. Here, we employ the laser-heated diamond anvil cell technique for synthesis of a Dirac material BeN4. A triclinic phase of beryllium tetranitride tr-BeN4 was synthesized from elements at similar to 85 GPa. Upon decompression to ambient conditions, it transforms into a compound with atomic-thick BeN4 layers interconnected via weak van der Waals bonds and consisting of polyacetylene-like nitrogen chains with conjugated pi systems and Be atoms in square-planar coordination. Theoretical calculations for a single BeN4 layer show that its electronic lattice is described by a slightly distorted honeycomb structure reminiscent of the graphene lattice and the presence of Dirac points in the electronic band structure at the Fermi level. The BeN4 layer, i.e., beryllonitrene, represents a qualitatively new class of 2D materials that can be built of a metal atom and polymeric nitrogen chains and host anisotropic Dirac fermions.
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| 5. |
- Bykov, Maxim, et al.
(author)
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High-Pressure Synthesis of Metal-Inorganic Frameworks Hf4N20 center dot N-2, WN8 center dot N-2, and Os5N28 center dot 3 N-2 with Polymeric Nitrogen Linkers
- 2020
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In: Angewandte Chemie International Edition. - : WILEY-V C H VERLAG GMBH. - 1433-7851 .- 1521-3773. ; 59:26, s. 10321-10326
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Journal article (peer-reviewed)abstract
- Polynitrides are intrinsically thermodynamically unstable at ambient conditions and require peculiar synthetic approaches. Now, a one-step synthesis of metal-inorganic frameworks Hf4N20 center dot N2, WN 8 center dot N2, and Os5N28 center dot 3N2 via direct reactions between elements in a diamond anvil cell at pressures exceeding 100 GPa is reported. The porous frameworks (Hf4N20, WN 8, and Os5N28) are built from transition-metal atoms linked either by polymeric polydiazenediyl (polyacetylene-like) nitrogen chains or through dinitrogen units. Triply bound dinitrogen molecules occupy channels of these frameworks. Owing to conjugated polydiazenediyl chains, these compounds exhibit metallic properties. The high-pressure reaction between Hf and N2 also leads to a non-centrosymmetric polynitride Hf2N11 that features double-helix catenapoly[tetraz-1-ene-1,4-diyl] nitrogen chains [-N-N-N=N-](infinity.)
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| 6. |
- Bykov, Maxim, et al.
(author)
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Realization of an Ideal Cairo Tessellation in Nickel Diazenide NiN2: High-Pressure Route to Pentagonal 2D Materials
- 2021
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In: ACS Nano. - : AMER CHEMICAL SOC. - 1936-0851 .- 1936-086X. ; 15:8, s. 13539-13546
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Journal article (peer-reviewed)abstract
- Most of the studied two-dimensional (2D) materials are based on highly symmetric hexagonal structural motifs. In contrast, lower-symmetry structures may have exciting anisotropic properties leading to various applications in nano-electronics. In this work we report the synthesis of nickel diazenide NiN2 which possesses atomic-thick layers comprised of Ni2N3 pentagons forming Cairo-type tessellation. The layers of NiN2 are weakly bonded with the calculated exfoliation energy of 0.72 J/m(2), which is just slightly larger than that of graphene. The compound crystallizes in the space group of the ideal Cairo tiling (P4/mbm) and possesses significant anisotropy of elastic properties. The single-layer NiN2 is a direct-band-gap semiconductor, while the bulk material is metallic. This indicates the promise of NiN2 to be a precursor of a pentagonal 2D material with a tunable direct band gap.
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| 7. |
- Bykov, Maxim, et al.
(author)
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Stabilization of Polynitrogen Anions in Tantalum-Nitrogen Compounds at High Pressure
- 2021
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In: Angewandte Chemie International Edition. - : WILEY-V C H VERLAG GMBH. - 1433-7851 .- 1521-3773. ; 60:16, s. 9003-9008
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Journal article (peer-reviewed)abstract
- The synthesis of polynitrogen compounds is of great importance due to their potential as high-energy-density materials (HEDM), but because of the intrinsic instability of these compounds, their synthesis and stabilization is a fundamental challenge. Polymeric nitrogen units which may be stabilized in compounds with metals at high pressure are now restricted to non-branched chains with an average N-N bond order of 1.25, limiting their HEDM performances. Herein, we demonstrate the synthesis of a novel polynitrogen compound TaN5 via a direct reaction between tantalum and nitrogen in a diamond anvil cell at circa 100 GPa. TaN5 is the first example of a material containing branched all-single-bonded nitrogen chains [N-5(5-)](infinity). Apart from that we discover two novel Ta-N compounds: TaN4 with finite N-4(4-) chains and the incommensurately modulated compound TaN2-x, which is recoverable at ambient conditions.
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| 8. |
- Bykova, Elena, et al.
(author)
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Novel Class of Rhenium Borides Based on Hexagonal Boron Networks Interconnected by Short B-2 Dumbbells
- 2022
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In: Chemistry of Materials. - : American Chemical Society (ACS). - 0897-4756 .- 1520-5002. ; 34:18, s. 8138-8152
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Journal article (peer-reviewed)abstract
- Transition metal borides are known due to their attractive mechanical, electronic, refractive, and other properties. A new class of rhenium borides was identified by synchrotron single-crystal X-ray diffraction experiments in laser-heated diamond anvil cells between 26 and 75 GPa. Recoverable to ambient conditions, compounds rhenium triboride (ReB3) and rhenium tetraboride (ReB4) consist of close-packed single layers of rhenium atoms alternating with boron networks built from puckered hexagonal layers, which link short bonded (similar to 1.7 angstrom) axially oriented B-2 dumbbells. The short and incompressible Re-B and B-B bonds oriented along the hexagonal c-axis contribute to low axial compressibility comparable with the linear compressibility of diamond. Sub-millimeter samples of ReB3 and ReB4 were synthesized in a large-volume press at pressures as low as 33 GPa and used for material characterization. Crystals of both compounds are metallic and hard (Vickers hardness, H-V = 34(3) GPa). Geometrical, crystal-chemical, and theoretical analysis considerations suggest that potential ReBx compounds with x > 4 can be based on the same principle of structural organization as in ReB3 and ReB4 and possess similar mechanical and electronic properties.
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| 9. |
- Bykova, Elena, et al.
(author)
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Synthesis, crystal structure, and properties of stoichiometric hard tungsten tetraboride, WB4
- 2022
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In: Journal of Materials Chemistry A. - : ROYAL SOC CHEMISTRY. - 2050-7488 .- 2050-7496. ; 10:37, s. 20111-20120
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Journal article (peer-reviewed)abstract
- Tungsten tetraboride has been known so far as a non-stoichiometric compound with a variable composition (e.g. WB4-x, WB4+x). Its mechanical properties could exceed those of hard tungsten carbide, which is widely used nowadays in science and technology. The existence of stoichiometric WB4 has not been proven yet, and its structure and crystal chemistry remain debatable to date. Here we report the synthesis of single crystals of the stoichiometric WB4 phase under high-pressure high-temperature conditions. The crystal structure of WB4 was determined using synchrotron single-crystal X-ray diffraction. In situ high-pressure compressibility measurements show that the bulk modulus of WB4 is 238.6(2) GPa for B = 5.6(0). Measurements of mechanical properties of bulk polycrystalline sub-millimeter size samples under ambient conditions reveal a hardness of similar to 36 GPa, confirming that the material falls in the category of superhard materials.
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| 10. |
- De Angelis, A., et al.
(author)
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Gamma-ray astrophysics in the MeV range : The ASTROGAM concept and beyond
- 2021
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In: Experimental astronomy. - : Springer Nature. - 0922-6435 .- 1572-9508. ; 51:3, s. 1225-1254
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Journal article (peer-reviewed)abstract
- The energy range between about 100 keV and 1 GeV is of interest for a vast class of astrophysical topics. In particular, (1) it is the missing ingredient for understanding extreme processes in the multi-messenger era; (2) it allows localizing cosmic-ray interactions with background material and radiation in the Universe, and spotting the reprocessing of these particles; (3) last but not least, gamma-ray emission lines trace the formation of elements in the Galaxy and beyond. In addition, studying the still largely unexplored MeV domain of astronomy would provide for a rich observatory science, including the study of compact objects, solar- and Earth-science, as well as fundamental physics. The technological development of silicon microstrip detectors makes it possible now to detect MeV photons in space with high efficiency and low background. During the last decade, a concept of detector (“ASTROGAM”) has been proposed to fulfil these goals, based on a silicon hodoscope, a 3D position-sensitive calorimeter, and an anticoincidence detector. In this paper we stress the importance of a medium size (M-class) space mission, dubbed “ASTROMEV”, to fulfil these objectives.
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