Optimization of inhomogeneous electron correlation factors in periodic solids

A method is presented for the optimization of one-body and inhomogeneous two-body terms in correlated electronic wave functions of Jastrow-Slater type. The most general form of inhomogeneous correlation term which is compatible with crystal symmetry is used and the energy is minimized with respect to all parameters using a rapidly convergent iterative approach, based on Monte Carlo sampling of the energy and fitting energy fluctuations. The energy minimization is performed exactly within statistical sampling error for the energy derivatives and the resulting one- and two-body terms of the wave function are found to be well-determined. The largest calculations performed require the optimization of over 3000 parameters. The inhomogeneous two-electron correlation terms are calculated for diamond and rhombohedral graphite. The optimal terms in diamond are found to be approximately homogeneous and isotropic over all ranges of electron separation, but exhibit some inhomogeneity at short- and intermediate-range, whereas those in graphite are found to be homogeneous at short-range, but inhomogeneous and anisotropic at intermediate- and long-range electron separation.Comment: 23 pages, 15 figures, 1 table, REVTeX4, submitted to PR

Spin Stiffness of Mesoscopic Quantum Antiferromagnets

We study the spin stiffness of a one-dimensional quantum antiferromagnet in the whole range of system sizes $L$ and temperatures $T$. We show that for integer and half-odd integer spin case the stiffness differs fundamentally in its $L$ and $T$ dependence, and that in the latter case the stiffness exhibits a striking dependence on the parity of the number of sites. Integer spin chains are treated in terms of the non-linear sigma model, while half-odd integer spin chains are discussed in a renormalization group approach leading to a Luttinger liquid with Aharonov-Bohm type boundary conditions.Comment: 12 pages, LaTe

Micro to nanostructural observations in neutron irradiated nuclear graphites PCEA and PCIB

The neutron irradiation-induced structural changes in nuclear grade graphites PCEA and PCIB were investigated using scanning electron microscopy (SEM), X-ray diffraction (XRD), Raman spectroscopy, transmission electron microscopy (TEM), selected area electron diffraction (SAED) and electron energy loss spectroscopy (EELS). The graphite samples were irradiated at the Advanced Test Reactor at the Idaho National Laboratory. Received doses ranged from 1.5 to 6.8 displacements per atom and irradiation temperatures varied between 350 °C and 670 °C. XRD and Raman measurements provided evidence for irradiation induced crystallite fragmentation, with crystallite sizes reduced by 39–55%. Analysis of TEM images was used to quantify fringe length, tortuosity, and relative misorientation of planes, and indicated that neutron irradiation induced basal plane fragmentation and curvature. EELS was used to quantify the proportion of sp2 bonding and specimen density; a slight reduction in planar-sp2 content (due to the buckling basal planes and the introduction of non-six-membered rings) agreed with the observations from TEM

Toward an internally consistent astronomical distance scale

Accurate astronomical distance determination is crucial for all fields in astrophysics, from Galactic to cosmological scales. Despite, or perhaps because of, significant efforts to determine accurate distances, using a wide range of methods, tracers, and techniques, an internally consistent astronomical distance framework has not yet been established. We review current efforts to homogenize the Local Group's distance framework, with particular emphasis on the potential of RR Lyrae stars as distance indicators, and attempt to extend this in an internally consistent manner to cosmological distances. Calibration based on Type Ia supernovae and distance determinations based on gravitational lensing represent particularly promising approaches. We provide a positive outlook to improvements to the status quo expected from future surveys, missions, and facilities. Astronomical distance determination has clearly reached maturity and near-consistency.Comment: Review article, 59 pages (4 figures); Space Science Reviews, in press (chapter 8 of a special collection resulting from the May 2016 ISSI-BJ workshop on Astronomical Distance Determination in the Space Age

Ambivalence towards discourse of disaster resilience

This paper investigates empirically how the international aid community (IAC)—donors and practitioners—considers and implements disaster resilience in a specific country setting, Nepal, and throughout the rest of the world. A key finding is that there is ambivalence about a concept that has become a discourse. On a global level, the IAC utilises the discourse of resilience in a cautiously positive manner as a bridging concept. On a national level, it is being used to influence the Government of Nepal, as well as serving as an operational tool of donors. The mythical resilient urban community is fashioned in the IAC's imaginary; understanding how people create communities and what type of linkages with government urban residents desire to develop their resilience strategies is missing, though, from the discussion. Disaster resilience can be viewed as another grand plan to enhance the lives of people. Yet, regrettably, an explicit focus on individuals and their communities is lost in the process

Dynamic protein methylation in chromatin biology

Post-translational modification of chromatin is emerging as an increasingly important regulator of chromosomal processes. In particular, histone lysine and arginine methylation play important roles in regulating transcription, maintaining genomic integrity, and contributing to epigenetic memory. Recently, the use of new approaches to analyse histone methylation, the generation of genetic model systems, and the ability to interrogate genome wide histone modification profiles has aided in defining how histone methylation contributes to these processes. Here we focus on the recent advances in our understanding of the histone methylation system and examine how dynamic histone methylation contributes to normal cellular function in mammals

The instrument suite of the European Spallation Source

An overview is provided of the 15 neutron beam instruments making up the initial instrument suite of the European Spallation Source (ESS), and being made available to the neutron user community. The ESS neutron source consists of a high-power accelerator and target station, providing a unique long-pulse time structure of slow neutrons. The design considerations behind the time structure, moderator geometry and instrument layout are presented. The 15-instrument suite consists of two small-angle instruments, two reflectometers, an imaging beamline, two single-crystal diffractometers; one for macromolecular crystallography and one for magnetism, two powder diffractometers, and an engineering diffractometer, as well as an array of five inelastic instruments comprising two chopper spectrometers, an inverse-geometry single-crystal excitations spectrometer, an instrument for vibrational spectroscopy and a high-resolution backscattering spectrometer. The conceptual design, performance and scientific drivers of each of these instruments are described. All of the instruments are designed to provide breakthrough new scientific capability, not currently available at existing facilities, building on the inherent strengths of the ESS long-pulse neutron source of high flux, flexible resolution and large bandwidth. Each of them is predicted to provide world-leading performance at an accelerator power of 2 MW. This technical capability translates into a very broad range of scientific capabilities. The composition of the instrument suite has been chosen to maximise the breadth and depth of the scientific impact o