Computer program determines thermal environment and temperature history of lunar orbiting space vehicles

Program computes the thermal environment of a spacecraft in a lunar orbit. The quantities determined include the incident flux /solar and lunar emitted radiation/, total radiation absorbed by a surface, and the resulting surface temperature as a function of time and orbital position

Left lateralization in autobiographical memory: An fMRI study using the expert archival paradigm

In brain-imaging and behavioural research, studies of autobiographical memory have higher ecological validity than controlled laboratory memory studies. However, they also have less controllability over the variables investigated. Here we present a novel technique—the expert archival paradigm—that increases controllability while maintaining ecological validity. Stimuli were created from games played by two international-level chess masters. We then asked these two players to perform a memory task with stimuli generated from their own games and stimuli generated from other players’ games while they were scanned using fMRI. We found a left lateralised pattern of brain activity which was very similar in both masters. The brain areas activated were the left temporo-parietal junction and left frontal areas. The expert archival paradigm has the advantage of not requiring an interview to assess the participants’ autobiographical memories, and affords the possibility of measuring their accuracy of remembering as well as their brain activity related to remote and recent memories. It can also be used in any field of expertise, including arts, sciences and sports, in which archival data are available

Development of an Advanced Force Field for Water using Variational Energy Decomposition Analysis

Given the piecewise approach to modeling intermolecular interactions for force fields, they can be difficult to parameterize since they are fit to data like total energies that only indirectly connect to their separable functional forms. Furthermore, by neglecting certain types of molecular interactions such as charge penetration and charge transfer, most classical force fields must rely on, but do not always demonstrate, how cancellation of errors occurs among the remaining molecular interactions accounted for such as exchange repulsion, electrostatics, and polarization. In this work we present the first generation of the (many-body) MB-UCB force field that explicitly accounts for the decomposed molecular interactions commensurate with a variational energy decomposition analysis, including charge transfer, with force field design choices that reduce the computational expense of the MB-UCB potential while remaining accurate. We optimize parameters using only single water molecule and water cluster data up through pentamers, with no fitting to condensed phase data, and we demonstrate that high accuracy is maintained when the force field is subsequently validated against conformational energies of larger water cluster data sets, radial distribution functions of the liquid phase, and the temperature dependence of thermodynamic and transport water properties. We conclude that MB-UCB is comparable in performance to MB-Pol, but is less expensive and more transferable by eliminating the need to represent short-ranged interactions through large parameter fits to high order polynomials

Generalized Unitary Coupled Cluster Wavefunctions for Quantum Computation

We introduce a unitary coupled-cluster (UCC) ansatz termed $k$-UpCCGSD that is based on a family of sparse generalized doubles (D) operators which provides an affordable and systematically improvable unitary coupled-cluster wavefunction suitable for implementation on a near-term quantum computer. $k$-UpCCGSD employs $k$ products of the exponential of pair coupled-cluster double excitation operators (pCCD), together with generalized single (S) excitation operators. We compare its performance in both efficiency of implementation and accuracy with that of the generalized UCC ansatz employing the full generalized SD excitation operators (UCCGSD), as well as with the standard ansatz employing only SD excitations (UCCSD). $k$-UpCCGSD is found to show the best scaling for quantum computing applications, requiring a circuit depth of $\mathcal O(kN)$, compared with $\mathcal O(N^3)$ for UCCGSD and $\mathcal O((N-\eta)^2 \eta)$ for UCCSD where $N$ is the number of spin orbitals and $\eta$ is the number of electrons. We analyzed the accuracy of these three ans\"atze by making classical benchmark calculations on the ground state and the first excited state of H$_4$ (STO-3G, 6-31G), H$_2$O (STO-3G), and N$_2$ (STO-3G), making additional comparisons to conventional coupled cluster methods. The results for ground states show that $k$-UpCCGSD offers a good tradeoff between accuracy and cost, achieving chemical accuracy for lower cost of implementation on quantum computers than both UCCGSD and UCCSD. Excited states are calculated with an orthogonally constrained variational quantum eigensolver approach. This is seen to generally yield less accurate energies than for the corresponding ground states. We demonstrate that using a specialized multi-determinantal reference state constructed from classical linear response calculations allows these excited state energetics to be improved

Eating Right For A Healthy Smile!

This printable handout discusses easy-to-follow tips for mothers and their children to observe for healthy eating and drinking habits (aka “healthy defaults”) for good oral hygiene. The tri-fold also addresses the benefits good oral health has on whole-body wellness and the risks that are associated with poor diet on oral health. The handout is intended to provide mothers with quick and easy tips that feel effortless that will improve her own health, and her children.https://dune.une.edu/an_studedres/1033/thumbnail.jp

Cluster decomposition of full configuration interaction wave functions: a tool for chemical interpretation of systems with strong correlation

Approximate full configuration interaction (FCI) calculations have recently become tractable for systems of unforeseen size thanks to stochastic and adaptive approximations to the exponentially scaling FCI problem. The result of an FCI calculation is a weighted set of electronic configurations, which can also be expressed in terms of excitations from a reference configuration. The excitation amplitudes contain information on the complexity of the electronic wave function, but this information is contaminated by contributions from disconnected excitations, i.e. those excitations that are just products of independent lower-level excitations. The unwanted contributions can be removed via a cluster decomposition procedure, making it possible to examine the importance of connected excitations in complicated multireference molecules which are outside the reach of conventional algorithms. We present an implementation of the cluster decomposition analysis and apply it to both true FCI wave functions, as well as wave functions generated from the adaptive sampling CI (ASCI) algorithm. The cluster decomposition is useful for interpreting calculations in chemical studies, as a diagnostic for the convergence of various excitation manifolds, as well as as a guidepost for polynomially scaling electronic structure models. Applications are presented for (i) the double dissociation of water, (ii) the carbon dimer, (iii) the {\pi} space of polyacenes, as well as (iv) the chromium dimer. While the cluster amplitudes exhibit rapid decay with increasing rank for the first three systems, even connected octuple excitations still appear important in Cr$_2$, suggesting that spin-restricted single-reference coupled-cluster approaches may not be tractable for some problems in transition metal chemistry.Comment: 15 pages, 5 figure

Extensive lava flow fields on Venus: Preliminary investigation of source elevation and regional slope variations

Large-volume lava flow fields have been identified on Venus, the most areally extensive of which are known as fluctus and have been subdivided into six morphologic types. Sheetlike flow fields (Type 1) lack the numerous, closely spaced, discrete lava flow lobes that characterize digitate flow fields. Transitional flow fields (Type 2) are similar to sheetlike flow fields but contain one or more broad flow lobes. Digitate flow fields are divided further into divergent (Types 3-5) and subparallel (Type 6) classes on the basis of variations in the amount of downstream flow divergence. As a result of our previous analysis of the detailed morphology, stratigraphy, and tectonic associations of Mylitta Fluctus, we have formulated a number of questions to apply to all large flow fields on Venus. In particular, we would like to address the following: (1) eruption conditions and style of flow emplacement (effusion rate, eruption duration), (2) the nature of magma storage zones (presence of neutral buoyancy zones, deep or shallow crustal magma chambers), (3) the origin of melt and possible link to mantle plumes, and (4) the importance of large flow fields in plains evolution. To answer these questions we have begun to examine variations in flow field dimension and morphology; the distribution of large flow fields in terms of elevation above the mean planetary radius; links to regional tectonic or volcanic structures (e.g., associations with large shield edifices, coronae, or rift zones); statigraphic relationships between large flow fields, volcanic plains, shields, and coronae; and various models of flow emplacement in order to estimate eruption parameters. In this particular study, we have examined the proximal elevations and topographic slopes of 16 of the most distinctive flow fields that represent each of the 6 morphologic types

A deterministic alternative to the full configuration interaction quantum Monte Carlo method

Development of exponentially scaling methods has seen great progress in tackling larger systems than previously thought possible. One such technique, full configuration interaction quantum Monte Carlo, is a useful algorithm that allows exact diagonalization through stochastically sampling determinants. The method derives its utility from the information in the matrix elements of the Hamiltonian, along with a stochastic projected wave function, to find the important parts of Hilbert space. However, the stochastic representation of the wave function is not required to search Hilbert space efficiently, and here we describe a highly efficient deterministic method to achieve chemical accuracy for a wide range of systems, including the difficult Cr$_{2}$ dimer. In addition our method also allows efficient calculation of excited state energies, for which we illustrate with benchmark results for the excited states of C$_{2}$.Comment: 4 pages, 2 figure

Methods of determining aquifer storage capacity and fresh-saline water interfaces by geoelectrical investigations

Students supported: One graduate student supportedGeoelectrical investigations in Grundy County of northwestern Missouri where the groundwater resources of the glacial deposits have already been examined through an extensive drilling program by the Missouri Geological Survey and Water Resources, indicate that water-bearing gravel deposits can be distinguished from glacial deposits containing appreciable amounts of clay and limited, amounts of water. The Schlumberger method used for the geoelectric depth soundings in the vicinity of the Survey's drillholes demonstrates the exploratory usefulness of the method in that it can partly replace the more expensive procedure of drilling. The method also provides improved interpretation between drillholes. Results of the investigation show that, in the area, clay has a resistivity below 20(omega)m, that the fresh water-bearing gravel at the bottom of the buried glacial stream channels has a resisitivity of 40 to 50 (omega)m, and that the near surface glacial gravel deposits have a resistivity above 100 (omega)m. Interpretation of the depth soundings and the conductivity of water obtained from a local well implies that its water is drawn from the saline water of the bedrock. A recommendation is made for the quality improvement of this particular well.Project # A-046-MO Agreement # 14-31-0001-352