Computing thermal transport from first-principles in UO_{2} is complicated due to the challenges associated with Mott physics. Here, we use irreducible derivative approaches to compute the cubic and quartic phonon interactions in UO_{2} from first principles, and we perform enhanced thermal transport computations by evaluating the phonon Green's function via self-consistent diagrammatic perturbation theory. Our predicted phonon lifetimes at T=600 K agree well with our inelastic neutron scattering measurements across the entire Brillouin zone, and our thermal conductivity predictions agree well with previous measurements.
View Article and Find Full Text PDFBackground: Ring chromosomes can be formed by terminal breaks of two arms of a chromosome and their rejoining, leading to a loss of genetic material. They may also be formed by telomere-telomere fusions with no deletion, resulting in the formation of a complete ring. Mosaic X-ring chromosomes are extremely rare and have highly variable phenotypes.
View Article and Find Full Text PDFComputing vibrational properties of crystals in the presence of complex defects often necessitates the use of (semi-)empirical potentials, which are typically not well characterized for perfect crystals. Here we explore the efficacy of a commonly used embedded-atomempirical interatomic potential for the UThOsystem, to compute phonon dispersion, lifetime, and branch specific thermal conductivity. Our approach for ThOinvolves using lattice dynamics and the linearized Boltzmann transport equation to calculate phonon transport properties based on second and third order force constants derived from the empirical potential and from first-principles calculations.
View Article and Find Full Text PDFZhonghua Yi Xue Yi Chuan Xue Za Zhi
September 2019
Objective: To explore the genetic basis for a patient with autism.
Methods: High-throughput sequencing was carried out to detect copy number variations in the patient.
Results: DNA sequencing found that the patient has carried a 0.
We have synthesized pyrite-type PtO (py-PtO) at 50-60 GPa and successfully recovered it at 1 bar. The observed O-O stretching vibration in Raman spectra provides direct evidence for inter-oxygen bonding in the structure. We also identified the O-H vibrations in py-PtO synthesized from the low-temperature areas, indicating hydrogenation, py-PtOH ( x ≤ 1).
View Article and Find Full Text PDFSurface plasmon polariton (SPP) coupling is a basic subject for plasmonic study and applications. Optical nanoantennas enable downscaling of the SPP coupling to subwavelength scales. In this study, asymmetric optical slot nanoantenna pairs composed of two optical slot nanoantennas with different lengths are proposed for SPP directional coupling.
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