Understanding the high pressure properties of molecular solids and molecular surfaces deposited on hetrogeneous substrates

Work directed toward understanding the high pressure properties of molecular solids and molecular surfaces deposited on hetrogeneous substrates is reported. The motivation, apart from expanding our basic knowledge about these systems, was to understand and predict the properties of new materials synthesized at high pressure, including pressure induced metallic and superconducting states. As a consequence, information about the states of matter of the Jovian planets and their satellites, which are natural high pressure laboratories was also provided. The work on molecular surfaces and finite two and three dimensional clusters of atoms and molecules was connected with the composition and behavior of planetary atmospheres and on the processes involved in forming surface layers, which is vital to the development of composite materials and microcircuitry

Electric and magnetic fields

A number of energy momentum anomalies are described that result from the use of Abraham-Lorentz electromagnetic theory. These anomalies have in common the motion of charged bodies or current carrying conductors relative to the observer. The anomalies can be avoided by using the nonflow approach, based on internal energy of the electromagnetic field. The anomalies can also be avoided by using the flow approach, if all contributions to flow work are included. The general objective of this research is a fundamental physical understanding of electric and magnetic fields which, in turn, might promote the development of new concepts in electric space propulsion. The approach taken is to investigate quantum representations of these fields

Consistent Anisotropic Repulsions for Simple Molecules

We extract atom-atom potentials from the effective spherical potentials that suc cessfully model Hugoniot experiments on molecular fluids, e.g., $O_2$ and $N_2$. In the case of $O_2$ the resulting potentials compare very well with the atom-atom potentials used in studies of solid-state propertie s, while for $N_2$ they are considerably softer at short distances. Ground state (T=0K) and room temperatu re calculations performed with the new $N-N$ potential resolve the previous discrepancy between experimental and theoretical results.Comment: RevTeX, 5 figure

Molecular-dynamics simulations of the dynamical excitations in commensurate submonolayer films of nitrogen molecules on graphite

URL:http://link.aps.org/doi/10.1103/PhysRevB.54.14077 DOI:10.1103/PhysRevB.54.14077The dynamics of commensurate submonolayer solids of N2 molecules adsorbed on the basal planes of graphite have been studied using molecular-dynamics simulations. The calculations yielded the temperature dependence of the Brillouin-zone-center gap in the acoustic-phonon branches, for comparison with inelastic neutron-scattering experiments on the submonolayer solid. The calculated frequency gap was the same in submonolayer and monolayer films at low temperatures. At intermediate temperatures, the diffusive molecular motion associated with the presence of vacancies caused the gap mode to be less clearly defined in the coherent scattering function. Diffusion constants are calculated at submonolayer coverages, and temperatures up to 40 K for a population of molecules identified as mobile.This work was partially supported by the National Science Foundation under Grant No. DMR-9314235 (H.T.) and Nos. DMR-9120199 and DMR-9423307 (L.W.B.) and by The Danish Natural Science Foundation (F.Y.H.). L.W.B. thanks the Fysisk-Kemisk Institut and the Technical University of Denmark for hospitality during the period this work was completed

Crystal structure of solid Oxygen at high pressure and low temperature

Results of X-ray diffraction experiments on solid oxygen at low temperature and at pressures up to 10 GPa are presented.A careful sample preparation and annealing around 240 K allowed to obtain very good diffraction patterns in the orthorhombic delta-phase. This phase is stable at low temperature, in contrast to some recent data [Y. Akahama et al., Phys. Rev. B64, 054105 (2001)], and transforms with decreasing pressure into a monoclinic phase, which is identified as the low pressure alpha-phase. The discontinuous change of the lattice parameters, and the observed metastability of the alpha-phase increasing pressure suggest that the transition is of the first order.Comment: 4 pages with three figure

What happens for informal caregivers during transition to increased levels of care for the person with dementia? A systematic review protocol

Abstract Background Dementia is a globally prevalent disease that requires ongoing and increasing levels of care, often provided in the first instance by informal caregivers. Supporting transitions in informal caregiving in dementia is a pertinent issue for caregivers, care providers and governments. There is no existing systematic review that seeks to identify and map the body of literature regarding the review question: ‘What happens for informal caregivers during transition to increased levels of care for the person with dementia?’ Methods/design ASSIA, CINAHL+, MEDLINE, PsycINFO, SCIE, Social Service Abstracts and Web of Science will be systematically searched. Specialist dementia research libraries will be contacted. Reviews identified as relevant during the search process, their reference lists, and reference lists of accepted papers will be hand-searched. Qualitative, quantitative and mixed methods studies that seek to represent the experiences of, or examine the impact upon, informal caregivers during transition to increased formal care for the person with dementia will be eligible for inclusion. Synthesis will be segregated into qualitative and quantitative papers. Findings will be summarised, and the review will be prepared for publication. Discussion The review will seek to identify potentially vulnerable groups in need of support and as such, inform the practice of those offering support. It will also inform future research by highlighting areas in which current literature is insubstantial. Systematic review registration PROSPERO CRD4201706724

Mechanism of melting in submonolayer films of nitrogen molecules adsorbed on the basal planes of graphite

URL:http://link.aps.org/doi/10.1103/PhysRevB.52.8515 DOI:10.1103/PhysRevB.52.8515The melting mechanism in submonolayer films of N2 molecules adsorbed on the basal planes of graphite is studied using molecular-dynamics simulations. The melting is strongly correlated with the formation of vacancies in the films. As the temperature increases, the edges of the submonolayer patch become atomically rough and vacancies are first created there. Then there is an onset temperature at which the vacancies penetrate into the patch. At an intermediate region of coverages ∼0.3-0.8 commensurate layers, there is sufficient free volume for the film to melt at that temperature. At higher coverages, ∼0.8-1.0 layers, a solid with defects is formed, and additional free volume must be created by higher energy mechanisms such as layer promotion for melting to occur; thus, the melting temperature rises with coverage. In contrast, for very small patches, the atomically rough zone penetrates the entire patch at a lower temperature where the film melts. The calculated melting temperatures are significantly lower than observed experimentally, indicating a severe fault in the potential model. A possible source of the discrepancy is identified.Our work was partially supported by the National Science Foundation under Grants Nos. DMR-9314235 (H.T.) and DMR-9120199 9L.W.B.) and by the Danish Natural Science Foundation (F.Y.H.)