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At least 271 records · Page 15

A triangular thin shell finite element: Linear analysis

The formulation of the linear stiffness matrix for a doubly-curved triangular thin shell element, using a modified potential energy principle, is described. The strain energy component of the potential energy is expressed in terms of displacements and displacement gradients by use of consistent Koiter strain-displacement equations. The element inplane and normal displacement fields are approximated by complete cubic polynomials. The interelement displacement admissibility conditions are met in the global representation by imposition of constraint conditions on the interelement boundaries; the constraints represent the modification of the potential energy. Errors due to the nonzero strains under rigid body motion are shown to be of small importance for practical grid refinements through performance of extensive comparison analyses.

Thomas, G. R.↗

Computation of orbits using total energy

The computation of orbits can be done more efficiently by the use of any of several new formulations of the perturbed two body problem which consider the total energy of the orbital system as one of the dependent variables. The total energy is the osculating two body energy plus the potential energy due to perturbing masses. The use of the total energy as the dependent variable instead of the two body energy is a relatively new idea. The advantage of using total energy arises from the fact that the more perturbing potential energy that is accounted for in the total energy variable, the more nearly constant is the total energy. In fact, except for dissipative forces such as drag, the only reason for the total energy not being constant is the rotation or revolution of the perturbing mass. This near constancy of the total energy has the effect of inhibiting error growth during numerical solution. This paper will present the results of an application of total energy formulation to the problem of the precise computation of orbits.

Bond, Victor R.↗

A two-layer diagnostic model of the long-term physical evolution of warm-core ring 82B

The present shipboard data in the 1982 time series on a single Gulf Stream warm core ring are composited on a cylindrical coordinate system following ring motion; 10 C-isotherm depth measurements are used in a two-layer model of the ring's structure to compute gradient current, kinetic energy, available potential energy (APE), and potential vorticity. The ring's evolution can be divided into two periods: April-late June, while the ring is isolated from strong Gulf Stream interaction, during which the ring loses APE at a low rate, and from July onward, following ring interactions with the Gulf Stream and topography with much higher energy loss. Within measurement errors, the potential vorticity at the center of the ring is conserved from April through August, implying nearly inviscid dynamics.

Olson, D. B.↗

Proper orthogonal descriptors for efficient and accurate interatomic potentials

Here, we present the proper orthogonal descriptors for efficient and accuracy representation of the potential energy surface. The potential energy surface is represented as a many-body expansion of parametrized potentials in which the potentials are functions of atom positions and parameters. The proper orthogonal decomposition is employed to decompose the parametrized potentials into a set of proper orthogonal descriptors (PODs). Because of the rapid convergence of the proper orthogonal decomposition, relevant snapshots can be sampled exhaustively to represent the atomic neighborhood environment accurately with a small number of descriptors. The proper orthogonal descriptors are used to develop interatomic potentials by using a linear expansion of the descriptors and determining the expansion coefficients from a weighted least-squares regression against a density functional theory (DFT) training set. We present a comprehensive evaluation of the POD potentials on previously published DFT data sets comprising Li, Mo, Cu, Ni, Si, Ge, and Ta elements. The data sets represent a diverse pool of metals, transition metals, and semiconductors. The accuracy of the POD potentials are comparable to that of state-of-the-art machine learning potentials such as the spectral neighbor analysis potential (SNAP) and the atomic cluster expansion (ACE).

97 MATHEMATICS AND COMPUTING↗

Space and energy

Potential contributions of space to energy-related activities are discussed. Advanced concepts presented include worldwide energy distribution to substation-sized users using low-altitude space reflectors; powering large numbers of large aircraft worldwide using laser beams reflected from space mirror complexes; providing night illumination via sunlight-reflecting space mirrors; fine-scale power programming and monitoring in transmission networks by monitoring millions of network points from space; prevention of undetected hijacking of nuclear reactor fuels by space tracking of signals from tagging transmitters on all such materials; and disposal of nuclear power plant radioactive wastes in space.

Bekey, I.↗

Fission Surface Power for the Exploration and Colonization of Mars

The colonization of Mars will require abundant energy. One potential energy source is nuclear fission. Terrestrial fission systems are highly developed and have the demonstrated ability to safely produce tremendous amounts of energy. In space, fission systems not only have the potential to safely generate tremendous amounts of energy, but could also potentially be used on missions where alternatives are not practical. Programmatic risks such as cost and schedule are potential concerns with fission surface power (FSP) systems. To be mission enabling, FSP systems must be affordable and programmatic risk must be kept acceptably low to avoid jeopardizing exploration efforts that may rely on FSP. Initial FSP systems on Mars could be "workhorse" units sized to enable the establishment of a Mars base and the early growth of a colony. These systems could be nearly identical to FSP systems used on the moon. The systems could be designed to be safe, reliable, and have low development and recurring costs. Systems could also be designed to fit on relatively small landers. One potential option for an early Mars FSP system would be a 100 kWt class, NaK cooled system analogous to space reactors developed and flown under the U.S. "SNAP" program or those developed and flown by the former Soviet Union ("BUK" reactor). The systems could use highly developed fuel and materials. Water and Martian soil could be used to provide shielding. A modern, high-efficiency power conversion subsystem could be used to reduce required reactor thermal power. This, in turn, would reduce fuel burnup and radiation damage .effects by reducing "nuclear" fuels and materials development costs. A realistic, non-nuclear heated and fully integrated technology demonstration unit (TDU) could be used to reduce cost and programmatic uncertainties prior to initiating a flight program.

Houts, Mike↗

Potential Effects of Climate Change and Solar Radiation Modification on Renewable Energy Resources

Solar radiation modification (SRM) is a possible deliberate approach to decrease or reflect incoming solar radiation with the goal of reducing global temperatures, which have increased over the last decades due to high atmospheric greenhouse gas concentrations. Stratospheric aerosol injection, specifically, has shown potential for successfully reducing global temperatures in climate model simulations. Despite the growing literature in the areas of climate change and SRM, their combined effects on renewable energy generation, a climate change mitigation strategy, have not been addressed. In this review paper, we synthesize previous literature on the possible effects of climate change and SRM on renewable energy resources (i.e., wind energy, solar energy, biomass energy, and hydropower), review the status of climate change and SRM research, and explore potential effects of SRM on renewable energy primarily in the Continental United States (CONUS), but with global perspectives as well. We discuss the research challenges and impacts of SRM on renewable energy and conclude by discussing the potential implications of SRM for renewables for SRM governance and policy. This work is not advocating for or against SRM. It is highlighting an important potential impact for future decision makers.

Kumler, Andrew [National Renewable Energy Laborato↗

Corroborative Evaluation of the Real-World Energy Saving Potentials of InfoRich Eco-Autonomous Driving (iREAD) System

There has been an increasing interest in exploring the potential to reduce energy consumption of future connected and automated vehicles. People have extensively studied various eco-driving implementations that leverage preview information provided by on-board sensors and connectivity, as well as the control authority enabled by automation. Quantitative real-world evaluation of eco-driving benefits is a challenging task. The standard regulatory driving cycles used for measuring exhaust emissions and fuel economy are not truly representative of real-world driving, nor for capturing how connectivity and automation might influence driving trajectories. To adequately consider real-world driving behavior and potential “off-cycle” impacts, this paper presents four collaborative evaluation methods: large-scale simulation, in-depth simulation, vehicle-in-the-loop testing, and vehicle road testing. These four approaches, spanning simulation and testing aspects, evaluate real-world fuel economy benefits with different ranges and resolutions. The large-scale simulations leverage an extensive real-world driving database to assess overall eco-driving benefits across a range of road network and driving scenarios. The real-world driving data are further leveraged to generate representative driving routes for deeper evaluation. Based on the representative routes, in-depth simulation relying on high-fidelity models investigates how different traffic scenarios can impact the eco-driving performance. The vehicle-in-the-loop setup reinforces the in-depth simulations by conducting tests with an actual vehicle operated on a chassis dynamometer; the measured energy savings were indeed found to agree with the in-depth simulation savings estimates. Finally, limited but representative road testing with the fully integrated vehicle will be conducted to demonstrate the eco-driving capability and conclude the overall evaluation regimen.

ARPA-E↗

Assessment of Wind Energy Resource Potential for Future Human Missions to Mars

Energy sustainability and redundancy for surface habitats, life support systems and scientific instrumentation represent one of the highest-priority issues for future crewed missions to Mars. However, power sources utilized for the current class of robotic missions to Mars may be potentially dangerous near human surface habitats (for example, nuclear) or lack stability on diurnal or seasonal timescales (for example, solar) that cannot be easily compensated for by power storage. Here, we evaluate the power potential for wind turbines as an alternative energy resource on the Mars surface. Using a state-of-the-art Mars global climate model, we analyse the total planetary Martian wind potential and calculate its spatial and temporal variability. We find that wind speeds at some proposed landing sites are sufficiently fast to provide a stand-alone or complementary energy source to solar or nuclear power. While several regions show promising wind energy resource potential, other regions of scientific interest can be discarded based on the natural solar and wind energy potential alone. We demonstrate that wind energy compensates for diurnal and seasonal reductions in solar power particularly in regions of scientific merit in the midlatitudes and during regional dust storms. Critically, proposed turbines stabilize power production when combined with solar arrays, increasing the percent time that power exceeds estimated mission requirements from ~40% for solar arrays alone to greater than 60-90% across a broad fraction of the Mars surface. We encourage additional study aimed at advancing wind turbine technology to operate efficiently under Mars conditions and to extract more power from Mars winds.

atmospheric dynamics↗

Half-projected Hartree-Fock calculations on several small molecules

The half-projected Hartree-Fock (HPHF) method is examined with respect to its ability to obtain molecular correlation, describe molecular potential energy surfaces, and provide a one-particle basis for more elaborate treatments. The equivalence, aside from questions of efficiency, of two different HPHF algorithms is demonstrated. The results of calculations on H2O, C2, N2, and CH2 indicate that the performance of the HPHF method, with spin projection in appropriate cases, is roughly equivalent to limited MCSCF treatments. In particular, a small but important fraction of the correlation energy, qualitatively correct potential energy surfaces, and good one-particle orbital bases are obtained.

Lengsfield, B. H., III↗

Energy Saving Analysis Using Energy Intensity Usage and Specific Energy Consumption Methods

This study presents the energy saving analysis reached through employing the energy intensity usage and specific energy consumption method. The energy analyses conducted in this study are used for implementing a new technology. However, they are additionally used to evaluate the latest concepts, techniques, processes, and uses for technologies, which are aimed at improvement of energy savings. This study shows the correlation between energy consumption, potential energy savings, and the impact of the energy assessment in different industrial sectors. The correlation is found by using two indicators: (1) the energy intensity usage (EIU) and (2) the specific energy consumption (SEC). The data analysis in this study considers the assessments for 67 industries from 2015 to 2019 and classifies those assessments using the Standard Industrial Classification (SIC) code. The results show that energy savings and energy consumption are linearly related. Also, the energy assessment improves energy performance in a more significant way for smaller companies than for larger industries. Furthermore, these results can be extrapolated by identifying the potential benefits of the energy management system (EMS) implementation.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Ab initio calculation of a global potential, vibrational energies, and wave functions for HCN/HNC, and a simulation of the (A-tilde)-(X-tilde) emission spectrum

A potential energy surface for the HCN/HNC system which is a fit to extensive, high-quality ab initio, coupled-cluster calculations is presented. All HCN and HNC states with energies below the energy of the first delocalized state are reported and characterized. Vibrational transition energies are compared with all available experimental data on HCN and HNC, including high CH-overtone states up to 23,063/cm. A simulation of the (A-tilde)-(X-tilde) stimulated emission pumping (SEP) spectrum is also reported, and the results are compared to experiment. Franck-Condon factors are reported for odd bending states of HCN, with one quantum of vibrational angular momentum, in order to compare with the recent assignment by Jonas et al. (1992), on the basis of axis-switching arguments of a number of previously unassigned states in the SEP spectrum.

Bowman, Joel M.↗

Atomic electron energies including relativistic effects and quantum electrodynamic corrections

Atomic electron energies have been calculated relativistically. Hartree-Fock-Slater wave functions served as zeroth-order eigenfunctions to compute the expectation of the total Hamiltonian. A first order correction to the local approximation was thus included. Quantum-electrodynamic corrections were made. For all orbitals in all atoms with 2 less than or equal to Z less than or equal to 106, the following quantities are listed: total energies, electron kinetic energies, electron-nucleus potential energies, electron-electron potential energies consisting of electrostatic and Breit interaction (magnetic and retardation) terms, and vacuum polarization energies. These results will serve for detailed comparison of calculations based on other approaches. The magnitude of quantum electrodynamic corrections is exhibited quantitatively for each state.

Aoyagi, M.↗

Neutral-atom electron binding energies from relaxed-orbital relativistic Hartree-Fock-Slater calculations for Z between 2 and 106

Electron binding energies in neutral atoms have been calculated relativistically, with the requirement of complete relaxation. Hartree-Fock-Slater wave functions served as zeroth-order eigenfunctions to compute the expectation of the total Hamiltonian. A first-order correction to the local approximation was thus included. Quantum-electrodynamic corrections were made. For all elements with atomic numbers ranging from 2 to 106, the following quantities are listed: total energies, electron kinetic energies, electron-nucleus potential energies, electron-electron potential energies consisting of electrostatic and Breit interaction (magnetic and retardation) terms, and vacuum polarization energies. Binding energies including relaxation are listed for all electrons in all atoms over the indicated range of atomic numbers. A self-energy correction is included for the 1s, 2s, and 2p(1/2) levels. Results for selected atoms are compared with energies calculated by other methods and with experimental values.

Huang, K.-N.↗

Numerical experiments on the oscillations of a rotating, axisymmetric galaxy

Modes of oscillation in six rotating, axisymmetric N-body systems are studied in a sequence of self-consistent, three-dimensional numerical experiments. The experimental systems are realizations of theoretical models of galaxies which are stellar-dynamical counterparts of uniformly rotating polytropes of index equal to 0.5. The ratio of the rotational kinetic energy to the gravitational potential energy ranges from 0.13 to 0.20. The systems oscillate axisymmetrically; the oscillations are interpreted as superpositions of a mode of radial pulsation and a Kelvin-like mode of oscillation. The experimental frequencies of these modes agree very well with theoretical predictions. When these modes are suppressed, the states of the experimental systems are very steady. The systems are dynamically unstable with respect to a toroidal mode when the ratio of the rotational kinetic energy to the gravitational potential energy exceeds a value lying between 0.16 and 0.17.

Miller, R. H.↗

Adaptive basis sets for practical quantum computing

Electronic structure calculations on small systems such as H 2 , H 2 O, LiH, and BeH 2 with chemical accuracy are still a challenge for the current generation of noisy intermediate-scale quantum (NISQ) devices. One of the reasons is that due to the device limitations, only minimal basis sets are commonly applied in quantum chemical calculations, which allows one to keep the number of qubits employed in the calculations at a minimum. However, the use of minimal basis sets leads to very large errors in the computed molecular energies as well as potential energy surface shapes. One way to increase the accuracy of electronic structure calculations is through the development of small basis sets better suited for quantum computing. In this work, we show that the use of adaptive basis sets, in which exponents and contraction coefficients depend on molecular structure, provides an easy way to dramatically improve the accuracy of quantum chemical calculations without the need to increase the basis set size and thus the number of qubits utilized in quantum circuits. As a proof of principle, we optimize an adaptive minimal basis set for quantum computing calculations on an H 2 molecule, in which exponents and contraction coefficients depend on the H—H distance, and apply it to the generation of H 2 potential energy surface on IBM-Q quantum devices. The adaptive minimal basis set reaches the accuracy of the double-zeta basis sets, thus allowing one to perform double-zeta quality calculations on quantum devices without the need to utilize twice as many qubits in simulations. This approach can be extended to other molecular systems and larger basis sets in a straightforward manner.

97 MATHEMATICS AND COMPUTING↗

Generalized Kinetic Description of Steady-State Collisionless Plasmas

We present a general solution to the collisionless Boltzmann (Vlasov) equation for a free-flowing plasma along a magnetic field line using Liouville's theorem, allowing for an arbitrary potential structure including non-monotonicities. The constraints of the existing collisionless kinetic transport models are explored, and the need for a more general approach to the problem of self- consistent potential energy calculations is described. Then a technique that handles an arbitrary potential energy distribution along the field line is presented and discussed. For precipitation of magnetospherically trapped hot plasma, this model yields moment calculations that vary by up to a factor of two for various potential energy structures with the same total potential drop. The differences are much greater for the high-latitude outflow scenario, giving order of magnitude variations depending on the shape of the potential energy distribution.

Khazanov, G. V.↗

Long-Term field testing of the accuracy and HVAC energy savings potential of occupancy presence sensors in A Single-Family home

The energy-saving potential of occupancy-centric smart thermostats has been extensively explored in simulations but lacked field testing for energy savings quantification and sensor performance assessment in real buildings. This paper presents a long-term field study conducted in a single-family home in Texas, U.S. to evaluate the performance of occupancy-centric controls (OCC) of HVAC (heating, ventilation, and air-conditioning) system in terms of energy savings, sensor accuracy, and impact on electric peak demand. The test site was equipped with a commercial off-the-shelf (COTS) smart thermostat and multiple occupancy presence sensors for OCC implementation. Additionally, a sub-metering system was installed to monitor electricity consumption of various end-use equipment, including the HVAC system. A supplementary device was installed to track the ground-truth occupancy for the accuracy evaluation of the occupancy presence sensor. Scenarios of baseline and OCC controls were alternated weekly over the 20-month testing period. The results indicated an effective OCC execution, as evidenced by indoor temperature profiles. During the 2023 cooling season, OCC achieved total energy savings of 1,958 kWh, corresponding to a 17.6% energy savings ratio. Under certain conditions, daily HVAC energy savings reached as high as 17 kWh, with a savings ratio of 35%. Sensor performance showed an overall accuracy of 83.8%, a False Positive Rate (FPR) of 12.8%, and a False Negative Rate (FNR) of 47.4%. A key limitation was the sensor’s inability to detect stationary occupants during sleep, leading to a midnight FNR of nearly 100% and significantly compromising thermal comfort. Additionally, the implementation of OCC resulted in extended periods of high electricity demand on summer afternoons, affecting occupant’s thermal comfort and posing potential challenges to community-level grid operations if OCC were widely adopted. Furthermore, this study addresses a critical research gap by empirically investigating energy-saving potential and occupancy sensor performance in residential buildings. Through a comprehensive field-testing study, the research examines the interrelationship between sensor accuracy, energy savings, and thermal comfort, an area that has received limited attention in the current literature.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗