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At least 73 records · Page 4

Pseudospectral calculation of helium wave functions, expectation values, and oscillator strength

We show that the pseudospectral method is a powerful tool for finding precise solutions of Schroedinger's equation for two-electron atoms with general angular momentum. Realizing the method's full promise for atomic calculations requires special handling of singularities due to two-particle Coulomb interactions. We give a prescription for choosing coordinates and subdomains whose efficacy we illustrate by solving several challenging problems. One test centers on the determination of the nonrelativistic electric dipole oscillator strength for the helium 1 {sup 1} S{yields}2 {sup 1} P transition. The result achieved, 0.276 164 99(27), is comparable to the best in the literature. The formally equivalent length, velocity, and acceleration expressions for the oscillator strength all yield roughly the same accuracy. We also calculate a diverse set of helium ground-state expectation values, reaching near state-of-the-art accuracy without the necessity of implementing any special-purpose numerics. These successes imply that general matrix elements are directly and reliably calculable with pseudospectral methods. A striking result is that all the relevant quantities tested in this paper--energy eigenvalues, S-state expectation values and a bound-bound dipole transition between the lowest energy S and P states--converge exponentially with increasing resolution and at roughly the same rate. Each individual calculation samples and weights the configuration space wave function uniquely but all behave in a qualitatively similar manner. These results suggest that the method has great promise for similarly accurate treatment of few-particle systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Simulation of Linear Non-Hermitian Boundary-Value Problems with Quantum Singular-Value Transformation

Herein we propose a quantum algorithm for simulating dissipative waves in inhomogeneous linear media as a boundary-value problem. Using the so-called quantum singular value transformation (QSVT), we construct a quantum circuit that models the propagation of electromagnetic waves in a one-dimensional system with outgoing boundary conditions. The corresponding measurement procedure is also discussed. Limitations of the QSVT algorithm are identified in connection with the large condition numbers that the dispersion matrices exhibit at weak dissipation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

On the Impact of Income, Age, and Travel Distance on the Value of Time

The value of time (VOT) is a fundamental component used in transportation modeling, policy analysis, and economic appraisal. Decades of research and practice have empirically estimated the VOT across many factors (e.g., mode, purpose, time, comfort, etc.), yet little is known about its underlying form. Although it is well established that VOT can vary, it is still unclear whether patterns exist in this variation. The objective of this paper is not to merely estimate the VOT, but to model the VOT across multiple continuous and interacting variables. The purpose is to reveal its functional form with respect to mode, age, gender, purpose, income, and time of day to provide a generalizable understanding for future research and practice. Such an understanding can help develop simpler models and reduce the need for bespoke estimations for every conceivable variable perturbation. This research utilized a household travel survey containing 14,159 reported trips with imputed travel time and costs for the alternative mode choices. The average overall estimated VOT is 40.32 $/h, with results showing VOT varying log-linearly with income and trip distance, but following a Gaussian function (normal curve) with age. Overall, the results show that travel distance dominates VOT variation, which increases exponentially at a rate that is 3.61 times higher per mile of distance than per $10,000 of income, and that VOT by age peaks at age 54. This basic understanding of how the VOT varies sets the foundation for answering the subsequent question for why it might vary.

Engineering↗

Radiative Flux Analysis (RADFLUXANAL) Value-Added Product: Retrieval of Clear-Sky Broadband Radiative Fluxes and Other Derived Values

This technical report describes the algorithms used in the Radiative Flux Analysis (RADFLUXANAL) Value-Added Product (VAP). This VAP estimates clear sky broadband irradiance values and derives several additional cloud properties from broadband measurements including fractional sky cover and cloud optical depth. The VAP is based on a collection of algorithms and codes developed by Charles N. Long. It is an updated version of the Shortwave Flux Analysis VAP that has been used in ARM for a number of years. The RADFLUXANAL VAP includes two major updates over the previous Shortwave Flux Analysis VAP: 1) longwave (LW) clear sky irradiance estimates and derived parameters, and 2) takes in better quality-controlled input data from the QCRAD VAP.

54 ENVIRONMENTAL SCIENCES↗

The economic value of remote sensing of earth resources from space: An ERTS overview and the value of continuity of service. Volume 3: Intensive use of living resources, agriculture. Part 2: Distribution effects

The results of an investigation of the value of improving information for forecasting future crop harvests are described. A theoretical model is developed to calculate the value of increased speed of availablitiy of that information. The analysis of U.S. domestic wheat consumption was implemented. New estimates of a demand function for wheat and of a cost of storage function were involved, along with a Monte Carlo simulation for the wheat spot and future markets and a model of market determinations of wheat inventories. Results are shown to depend critically on the accuracy of current and proposed measurement techniques.

Bradford, D. F.↗

Initial value and two point boundary value solutions to the Clohessy-Wiltshire equations

The nonhomogeneous Clohessy-Wiltshire (C-W) equations are formulated and solved as an initial value problem in the form structure of linear systems theory. The state transition matrix (STM) and its inverse are obtained explicitly in both Newtonian and Hamiltonian form. It is shown that the STM for the C-2 equations possesses a special property making its inverse easily obtainable. Since solutions to the C-W equations are needed in two-point boundary value form to construct a good mission design tool for orbit transfer, the Lambert problem is solved in the context of the C-W equations.

Mullins, Larry D.↗

Valuing the Ozone-Related Health Benefits of Methane Emission Controls

Methane is a greenhouse gas that oxidizes to form ground-level ozone, itself a greenhouse gas and a health-harmful air pollutant. Reducing methane emissions will both slow anthropogenic climate change and reduce ozone-related mortality. We estimate the benefits of reducing methane emissions anywhere in the world for ozone-related premature mortality globally and for eight geographic regions. Our methods are consistent with those used by the U.S. Government to estimate the Social Cost of Carbon (SCC). We find that the global short- and long-term premature mortality benefits due to reduced ozone production from methane mitigation are (2011)$790 and $1775 per tonne methane, respectively. These correspond to approximately 70% and 150% of the valuation of methane’s global climate impacts using the SCC after extrapolating from carbon dioxide to methane using Global Warming Potential (GWP) estimates. Results are most sensitive to the choice of VSL and increase for emission years further in the future. Regionally, most of the global mortality benefits accrue in Asia, but 10% accrue in the United States. This methodology can be used to assess the benefits of methane emission reductions anywhere in the world, including those achieved by national and multinational policies.

54 ENVIRONMENTAL SCIENCES↗

Enabling AC electroluminescence in quasi-2D perovskites by uniformly arranging different-n-value nanoplates to allow bidirectional charge transport

Perovskite light-emitting diodes (LEDs) are normally operated under forward direct current (DC) to realize electron/hole injection at cathode/anode surfaces. In this work, we demonstrate an alternating current (AC) driven LED enabled by bi-directionally allowed charge transport in quasi-2D perovskite (PEA 2 MA n-1 PbnI 3n+1 ) film. Essentially, the bi-directional charge transport is realized by uniformly arranging different-n-value 2D nanoplates together with symmetrically designed anode/cathode interfaces, which can allow injected electrons and holes to form light-emitting states under both forward and reverse biases, leading to an AC electroluminescence (EL) with the device architecture of ITO/PEI/PEDOT:PSS/PEA 2 MA n-1 PbnI 3n+1 /P3HT/PEI/Ag. The high AC EL performance was achieved with the radiance = 24 W Sr -1 m -2 and 18.3 W Sr -1 m -2 and EQE = 12.5% and 3.7% under forward and reverse biases. Furthermore, the device-operational stability was largely improved with the half-intensity time of T 50 = 11.0 h under AC bias (+2 V/-2 V, 50 Hz) as compared to T 50 = 3.9 h under forward bias (+2 V/0 V, 50 Hz).

36 MATERIALS SCIENCE↗

Motional displacements in proteins: The origin of wave-vector-dependent values

In the case of average mean-square displacement, r 2 , of H atoms in a protein, it is frequently determined using incoherent neutron-scattering experiments. r 2 is obtained from the observed elastic incoherent dynamic structure factor, S i (Q,ω =0), assuming the form S i (Q, ω =0) =exp( -Q 2 r 2 /3). Moreover, this is often referred to as the Gaussian approximation (GA) to S i (Q, ω =0). r 2 obtained in this way depends on the value of the wave vector, Q considered. Equivalently, the observed S i (Q, ω =0) deviates from the GA. We investigate the origin of the Q dependence of r 2 by evaluating the scattering functions in different approximations using molecular dynamics (MD) simulation of the protein lysozyme. We find that keeping only the Gaussian term in a cumulant expansion of S(Q, ω ) is an accurate approximation and is not the origin of the Q dependence of r 2 . We demonstrated by showing that the term beyond the Gaussian is negligible and that the GA is valid for an individual atom in the protein. Rather, the Q dependence (deviation from the GA) arises from the dynamical heterogeneity of the H in the protein. Specifically it arises from representing, in the analysis of data, this diverse dynamics by a single average scattering center that has a single, average r 2 . The observed Q dependence of r 2 can be used to provide information on the dynamical heterogeneity in proteins.

59 BASIC BIOLOGICAL SCIENCES↗

Value Proposition for High Lifetime (p-type) and Thin Silicon Materials in Solar PV Applications: Preprint

Most silicon PV road maps forecast a continued reduction in wafer thickness, despite rapid declines in the primary incentive for doing so -- polysilicon feedstock price. Another common feature of most silicon-technology forecasts is the quest for ever-higher device performance at the lowest possible costs. The authors present data from device-performance and manufacturing- and system-installationcost models to quantitatively establish the incentives for manufacturers to pursue advanced (thin) wafer and (high efficiency) cell technologies, in an age of reduced feedstock prices. This analysis exhaustively considers the value proposition for high lifetime (p-type) silicon materials across the entire c-Si PV supply chain.

14 SOLAR ENERGY↗