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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 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Induced fission of Pu 240 within a real-time microscopic framework

Here, we describe the fissioning dynamics of 240 Pu from a configuration in the proximity of the outer fission barrier to full scission and the formation of the fragments within an implementation of density functional theory extended to superfluid systems and real-time dynamics. The fission fragments emerge with properties similar to those determined experimentally, while the fission dynamics appears to be quite complex, with many excited shape and pairing modes. The evolution is found to be much slower than previously expected, and the ultimate role of the collective inertia is found to be negligible in this fully nonadiabatic treatment of nuclear dynamics, where all collective degrees of freedom (CDOF) are included (unlike adiabatic treatments with a small number of CDOF).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

Pressure-Induced Confined Metal from the Mott Insulator Sr 3 Ir 2 O 7

The spin-orbit Mott insulator Sr 3 Ir 2 O 7 provides a fascinating playground to explore insulator-metal transition driven by intertwined charge, spin, and lattice degrees of freedom. Here, we report high-pressure electric resistance and resonant inelastic x-ray scattering measurements on single-crystal Sr 3 Ir 2 O 7 up to 63-65 GPa at 300 K. The material becomes a confined metal at 59.5 GPa, showing metallicity in the ab plane but an insulating behavior along the c axis. Such an unusual phenomenon resembles the strange metal phase in cuprate superconductors. Since there is no sign of the collapse of spin-orbit or Coulomb interactions in x-ray measurements, this novel insulator-metal transition is potentially driven by a first-order structural change at nearby pressures. Our discovery points to a new approach for synthesizing functional materials.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Disorder-Induced Mimicry of a Spin Liquid in YbMgGaO 4

In this study, we suggest that a randomization of the pseudo-dipolar interaction in the spin-orbit-generated low-energy Hamiltonian of YbMgGaO 4 due to an inhomogeneous charge environment from a natural mixing of Mg 2+ and Ga 3+ can give rise to orientational spin disorder and mimic a spin-liquid-like state. In the absence of such quenched disorder, 1/S and density matrix renormalization group calculations both show robust ordered states for the physically relevant phases of the model. Our scenario is consistent with the available experimental data and further experiments are proposed to support it.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Magnetic-Field Tuning of Light-Induced Superconductivity in Striped La 2 – x Ba x CuO 4 [Magnetic-Field Tuning of Photo-Induced Superconductivity in Striped La 2 – x Ba x CuO 4 ]

Optical excitation of stripe-ordered La 2–x Ba x CuO 4 has been shown to transiently enhance superconducting tunneling between the CuO 2 planes. This effect was revealed by a blueshift, or by the appearance of a Josephson plasma resonance in the terahertz-frequency optical properties. Here, we show that this photoinduced state can be strengthened by the application of high external magnetic fields oriented along the c axis. For a 7 T field, we observe up to a tenfold enhancement in the transient interlayer phase correlation length, accompanied by a twofold increase in the relaxation time of the photoinduced state. These observations are highly surprising, since static magnetic fields suppress interlayer Josephson tunneling and stabilize stripe order at equilibrium. We interpret our data as an indication that optically enhanced interlayer coupling in La 2–x Ba x CuO 4 does not originate from a simple optical melting of stripes, as previously hypothesized. Furthermore, we speculate that the photoinduced state may emerge from activated tunneling between optically excited stripes in adjacent planes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Defect-induced states, defect-induced phase transition, and excitonic states in bent tungsten disulfide (WS 2 ) nanoribbons: Density functional vs. many body theory

Two-dimensional (2D) transition metal dichalcogenide (TMD) materials have versatile electronic and optical properties. TMD nanoribbons exhibit interesting properties due to reduced dimensionality, quantum confinement, and edge states, which make them suitable for various electronic and optoelectronic applications. In a previous work conducted by our group, we demonstrated that the edge bands evolved with bending can tune the optical properties for various widths of TMD nanoribbons. Defects are commonly present in 2D TMD materials, and can dramatically change the material properties. Here, in this following work, we investigate the interaction between the edge and the defect states in tungsten disulfide (WS 2 ) nanoribbons with lines of W- or S-atom vacancies defects under different bending conditions, using density functional theory (DFT). To gain understanding about the limits of density functional approximations, we compare results on band gaps and energies of defect states with quasiparticle GW. We reveal interesting semiconductor-metal phase transitions, suggesting potential applications in nanoelectronics or molecular electronics. We also calculate the optical absorption of the bent and defective nanoribbons with the many-body GW-BSE (Bethe-Salpeter equation) approach, revealing a tunable optical spectrum and diverse exciton states in the defective WS 2 nanoribbons.

36 MATERIALS SCIENCE↗