Rules for Minimal Atomic Multipole Expansion of Molecular Fields

A non-empirical minimal atomic multipole expansion (MAME) defines atomic charges or higher multipoles that reproduce electrostatic potential outside molecules. MAME eliminates problems associated with redundancy and with statistical sampling, and produces atomic multipoles in line with chemical intuition.Comment: 3.5 pages, 3 color PS figures embedde

Archean foreland basin tectonics in the Witwatersrand, South Africa

The Witwatersrand Basin of South Africa is the best-known of Archean sedimentary basins and contains some of the largest gold reserves in the world. Sediments in the basin include a lower flysch-type sequence and an upper molassic facies, both of which contain abundant silicic volcanic detritus. The strata are thicker and more proximal on the northwestern side of the basin which is, at least locally, bound by thrust faults. These features indicate that the Witwatersrand strata may have been deposited in a foreland basin and a regional geologic synthesis suggests that this basin developed initially on the cratonward side of an Andean-type arc. Remarkably similar Phanerozoic basins may be found in the southern Andes above zones of shallow subduction. It is suggested that the continental collision between the Kaapvaal and Zimbabwe Cratons at about 2.7 Ga caused further subsidence and deposition in the Witwatersrand Basin. Regional uplift during this later phase of development placed the basin on the cratonward edge of a collision-related plateau, now represented by the Limpopo Province. Similarities are seen between this phase of Witwatersrand Basin evolution and that of active basins north of the Tibetan Plateau. The geologic evidence does not agree with earlier suggestions that the Witwatersrand strata were deposited in a rift or half-graben

The ultrafilter number for singular cardinals

We prove the consistency of a singular cardinal $\lambda$ with small value of the ultrafilter number $u_\lambda$, and arbitrarily large value of $2^\lambda$.Comment: 8 page

Excitations in time-dependent density-functional theory

An approximate solution to the time-dependent density functional theory (TDDFT) response equations for finite systems is developed, yielding corrections to the single-pole approximation. These explain why allowed Kohn-Sham transition frequencies and oscillator strengths are usually good approximations to the true values, and why sometimes they are not. The approximation yields simple expressions for G\"orling-Levy perturbation theory results, and a method for estimating expectation values of the unknown exchange-correlation kernel.Comment: 4 pages, 1 tabl

Average and worst-case specifications of precipitating auroral electron environment

The precipitation electrons in the auroral environment are highly variable in their energy and intensity in both space and time. As such they are a source of potential hazard to the operation of the Space Shuttle and other large spacecraft operating in polar orbit. In order to assess these hazards both the average and extreme states of the precipitating electrons must be determined. Work aimed at such a specification is presented. First results of a global study of the average characteristics are presented. In this study the high latitude region was divided into spatial elements in magnetic local time and corrected geomagnetic latitude. The average electron spectrum was then determined in each spatial element for seven different levels of activity as measured by K sub p using an extremely large data set of auroral observations. Second a case study of an extreme auroral electron environment is presented, in which the electrons are accelerated through field aligned potential as high as 30,000 volts and in which the spacecraft is seen to charge negatively to a potential approaching .5 kilovolts

Improvement of Energy Efficiency for Wastewater Treatment

Wastewater treatment requires the elimination of pathogens and reduction of organic matter in the treated sludge to acceptable levels. One process used to achieve this is Autothermal Thermophylic Aerobic Digestion (ATAD), which relies on promoting non-pathogenic thermophilic bacteria to digest organic matter and kill pathogens through metabolic heat generation. This process requires continuous aeration that may be energy consuming, and the final aim of the study is to identify how the process design can minimize the energy input per mass of treated sludge. Appropriate modeling of the reactor process is an essential ingredient, so we explore properties of an existing model and propose a simplified alternative model

R-matrix Floquet theory for laser-assisted electron-atom scattering

A new version of the R-matrix Floquet theory for laser-assisted electron-atom scattering is presented. The theory is non-perturbative and applicable to a non-relativistic many-electron atom or ion in a homogeneous linearly polarized field. It is based on the use of channel functions built from field-dressed target states, which greatly simplifies the general formalism.Comment: 18 pages, LaTeX2e, submitted to J.Phys.

Toilet talk: (Trans)Gendered negotiation of public spaces

Public toilet provision in the UK fails to meet the needs of cis women while trans communities are absent from current building regulations. This research explores how individuals negotiate differing positions on toilet provision and accessibility. The data was formed of online posts on Dezeen, a forum for building design professionals, and Mumsnet, a parenting forum, in response to the Ministry of Housing and Local Government ‘Technical review on increasing accessibility and provision of toilets for men and women’. Discursive Psychology was used to explore how accessibility to toilets is constructed. There is also an opportunity to explore how a discursive approach can be applied interdisciplinary with town planning and the built environment. Gender identities are situated and constructed within public toilets. Talk about refuge in public bathrooms involved the negotiation of who belonged in differing gender categories and who warranted a need for refuge. Where men are explicitly acknowledged as an issue, cis and trans women are collectively identified as requiring a safe space. Cis women are presented as a threat to trans women and other cis women who are misgendered. Discourse about toilet provision draws upon both heteronormative ideology to challenge access to trans people and others who challenge normative gender roles. Talk about toilets involves warranting ‘place-identity’ as gender identity is situated and access limited to those who are constructed as belonging

Action Sequencing Using Visual Permutations

Humans can easily reason about the sequence of high level actions needed to complete tasks, but it is particularly difficult to instil this ability in robots trained from relatively few examples. This work considers the task of neural action sequencing conditioned on a single reference visual state. This task is extremely challenging as it is not only subject to the significant combinatorial complexity that arises from large action sets, but also requires a model that can perform some form of symbol grounding, mapping high dimensional input data to actions, while reasoning about action relationships. This paper takes a permutation perspective and argues that action sequencing benefits from the ability to reason about both permutations and ordering concepts. Empirical analysis shows that neural models trained with latent permutations outperform standard neural architectures in constrained action sequencing tasks. Results also show that action sequencing using visual permutations is an effective mechanism to initialise and speed up traditional planning techniques and successfully scales to far greater action set sizes than models considered previously.Comment: This paper has been accepted for publication at IEEE RA-