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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Quantum chemistry simulations in conjunction with scattering theory are used to demonstrate how static core-holes and attosecond valence electron currents manifest as measurable X-ray scattering modulations.
Abstract From the formation mechanisms of stars and compact objects to nuclear physics, modern astronomy frequently leverages surveys to understand populations of objects to answer fundamental questions. The population of dark and isolated compact objects in the Galaxy contains critical information related to many of these topics, but is only practically accessible via gravitational microlensing. However, photometric microlensing observables are degenerate for different types of lenses, and one can seldom classify an event as involving either a compact object or stellar lens on its own. To address this difficulty, we apply a Bayesian framework that treats lens type probabilistically and jointly with a lens population model. This method allows lens population characteristics to be inferred despite intrinsic uncertainty in the lens class of any single event. We investigate this method’s effectiveness on a simulated ground-based photometric survey in the context of characterizing a hypothetical population of primordial black holes (PBHs) with an average mass of 30 M ⊙ . On simulated data, our method outperforms current black hole (BH) lens identification pipelines and characterizes different subpopulations of lenses while jointly constraining the PBH contribution to dark matter to ≈25%. Key to robust inference, our method can marginalize over population model uncertainty. We find the lower mass cutoff for stellar origin BHs, a key observable in understanding the BH mass gap, particularly difficult to infer in our simulations. This work lays the foundation for cutting-edge PBH abundance constraints to be extracted from current photometric microlensing surveys.
The skyrmion lattice (SkL) in MnSi was studied using small-angle neutron scattering and under the influence of a radial electric current in a Corbino geometry. In response to the applied current, the SkL undergoes an angular reorientation with respect to the MnSi crystal lattice. The reorientation is nonmonotonic with increasing current, with the SkL rotating first in one direction and then the other. The SkL reorientation was studied at different sample locations and found to depend on the local current density as inferred from a finite-element analysis. Here, the nonmonotonic response indicates the presence of two competing effects on the SkL, most likely due to the presence of both radial electric and thermal currents. Such a scenario is supported by micromagnetic simulations, which show how these effects can act constructively or destructively to drive the SkL rotation, depending on the direction of the electric current. In addition, the simulations also suggest how the direction of the skyrmion flow may affect the SkL orientation.
A computer simulation and theoretical study of the physical characteristics of the explosive coalescence of current-carrying loops is presented. Characteristics of the explosive coalescence include a large impulsive increase of the kinetic energies of electrons and ions, the simultaneous heating and acceleration of electrons and ions in high and low energy ranges, and a break in the energy spectra of electrons and ions. A characteristic double subpeak structure is found in the quasi-periodic oscillations found in the time profiles of the solar flares of June 7, 1980 and November 26, 1982 which can be explained in terms of the coalescence instability of two current loops.
The next generation of spectroscopic surveys will map the large-scale structure of the Universe at high redshifts (2 ≤ z ≤ 5) using millions of quasar spectra, enabling major advances in constraining both the standard cosmological model and its extensions. Robust cosmological analyses of these data sets require numerical simulations that both cover gigaparsec volumes and resolve features on ∼10 kpc scales and smaller. However, running such large-volume, high-resolution hydrodynamic simulations is computationally prohibitive. We present a generative deep learning model that enhances a low-resolution, gigaparsec-scale (960 h −1 Mpc) hydrodynamic simulation using a smaller (80 h −1 Mpc) high-resolution input hydrodynamic simulation as training data. The resulting enhanced simulation reproduces the line-of-sight power spectrum to within ∼10% and the three-dimensional power spectrum at the ∼20% level at intermediate to small scales (k ≲ 2 h Mpc −1 ). Our method shows strong promise for producing realistic simulations for cosmological analyses with current surveys such as the Dark Energy Spectroscopic Instrument and upcoming next-generation experiments, but further improvements are needed to accurately recover the large-scale modes. We publicly release the enhanced hydrodynamic simulation, along with a halo catalog from a companion N-body dark matter simulation to support the calibration of data analysis pipelines for these large-scale surveys.
The magnetospheres of magnetars are believed to be filled with electron–positron plasma generated by electric discharge. We present a first numerical experiment demonstrating this process in an axisymmetric magnetosphere with a simple threshold prescription for pair creation, which is applicable to the inner magnetosphere with an ultrastrong field. The e{sup ±} discharge occurs in response to the twisting of the closed magnetic field lines by a shear deformation of the magnetar surface, which launches electric currents into the magnetosphere. The simulation shows the formation of an electric “gap” with an unscreened electric field (E⋅B≠0) that continually accelerates particles along the magnetic field lines and sustains pair creation. The accelerating voltage is self-regulated to the threshold of the e{sup ±} discharge. It controls the rate of energy release and the lifetime of the magnetic twist. The simulation follows the global evolution of the twisted magnetosphere over a long time and demonstrates its gradual resistive untwisting. A vacuum cavity forms near the star and expands, gradually erasing magnetospheric electric currents j. The active j-bundle shrinks with time and its footprints form shrinking hot spots on the magnetar surface bombarded by the created particles.
Abstract Simulation of the dynamics of quantum materials is emerging as a promising scientific application for noisy intermediate-scale quantum (NISQ) computers. Due to their high gate-error rates and short decoherence times, however, NISQ computers can only produce high-fidelity results for those quantum circuits smaller than some given circuit size. Dynamic simulations, therefore, pose a challenge as current algorithms produce circuits that grow in size with each subsequent time-step of the simulation. This underscores the crucial role of quantum circuit compilers to produce executable quantum circuits of minimal size, thereby maximizing the range of physical phenomena that can be studied within the NISQ fidelity budget. Here, we present two domain-specific (DS) quantum circuit compilers for the Rigetti and IBM quantum computers, specifically designed to compile circuits simulating dynamics under a special class of time-dependent Hamiltonians. The compilers outperform state-of-the-art general-purpose compilers in terms of circuit size reduction by around 25%–30% as well as wall-clock compilation time by around 40% (dependent on system size and simulation time-step). Drawing on heuristic techniques commonly used in artificial intelligence, both compilers scale well with simulation time-step and system size. Code for both compilers is open-source and packaged into a full-stack quantum simulation software with tutorials included for ease of use for future researchers wishing to perform dynamic simulations of quantum materials on quantum computers. As our DS compilers provide significant improvements in both compilation time and simulation fidelity, they provide a building block for accelerating progress toward physical quantum supremacy.
Rapid progress in noisy intermediate-scale quantum (NISQ) computing technology has led to the development of novel resource-efficient hybrid quantum-classical algorithms, such as the variational quantum eigensolver (VQE), that can address open challenges in quantum chemistry, physics, and material science. Proof-of-principle quantum chemistry simulations for small molecules have been demonstrated on NISQ devices. While several approaches have been theoretically proposed for correlated materials, NISQ simulations of interacting periodic models on current quantum devices have not yet been demonstrated. Here, we develop a hybrid quantum-classical simulation framework for correlated electron systems based on the Gutzwiller variational embedding approach. We implement this framework on Rigetti quantum processing units (QPUs) and apply it to the periodic Anderson model, which describes a correlated heavy electron band hybridizing with noninteracting conduction electrons. Our simulation results quantitatively reproduce the known ground state quantum phase diagram including metallic, Kondo and Mott insulating phases. This is the first fully self-consistent hybrid quantum-classical simulation of an infinite correlated lattice model executed on QPUs, demonstrating that the Gutzwiller hybrid quantum-classical embedding framework is a powerful approach to simulate correlated materials on NISQ hardware. This benchmark study also puts forth a concrete pathway towards practical quantum advantage on NISQ devices.
and Accreditation (VV&A) session audience, a snapshot review of the Exploration Space Mission Directorate s (ESMD) investigation into implementation of a modeling and simulation (M&S) VV&A program. The presentation provides some legacy ESMD reference material, including information on the then-current organizational structure, and M&S (Simulation Based Acquisition (SBA)) focus contained therein, to provide a context for the proposed M&S VV&A approach. This reference material briefly highlights the SBA goals and objectives, and outlines FY05 M&S development and implementation consistent with the Subjective Assessment, Constructive Assessment, Operator-in-the-Loop Assessment, Hardware-in-the-Loop Assessment, and In Service Operations Assessment M&S construct, the NASA Exploration Information Ontology Model (NExIOM) data model, and integration with the Windchill-based Integrated Collaborative Environment (ICE). The presentation then addresses the ESMD team s initial conclusions regarding an M&S VV&A program, summarizes the general VV&A implementation approach anticipated, and outlines some of the recognized VV&A program challenges, all within a broader context of the overarching Integrated Modeling and Simulation (IM&S) environment at both the ESMD and Agency (NASA) levels. The presentation concludes with a status on the current M&S organization s progress to date relative to the recommended IM&S implementation activity. The overall presentation was focused to provide, for the Verification, Validation,
Using three-dimensional (3D) magnetohydrodynamic simulations, we study how a pit on a metal surface evolves when driven by intense electrical current density j. Redistribution of j around the pit initiates a feedback loop: j both reacts to and alters the electrical conductivity σ, through Joule heating and hydrodynamic expansion, so that j and σ are constantly in flux. Thus, the pit transforms into larger striation and filament structures predicted by the electrothermal instability theory. Both structures are important in applications of current-driven metal: Here, the striation constitutes a density perturbation that can seed the magneto-Rayleigh-Taylor instability, while the filament provides a more rapid path to plasma formation, through 3D j redistribution. Simulations predict distinctive self-emission patterns, thus allowing for experimental observation and comparison.
We compare equilibrium climate sensitivity (ECS) estimates from pairs of long (= 800-year) control and abruptly quadrupled CO2 simulations with shorter (150, 300 year) coupled atmosphere-ocean simulations and Slab Ocean Models (SOM). Consistent with previous work, ECS estimates from shorter coupled simulations based on annual averages for years 1-150 underestimate those from SOM (-8% ± 13%) and long (-14% ± 8%) simulations. Analysis of only years 21-150 improved agreement with SOM (-2% ± 14%) and long (-8% ± 10%) estimates. Use of pentadal averages for years 51-150 results in improved agreement with long simulations (-4% ± 11%). While ECS estimates from current generation US models based on SOM and coupled annual averages of years 1-150 range from 2.6°C to 5.3°C, estimates based longer simulations of the same models range from 3.2°C to 7.0°C. Such variations between methods argues for caution in comparison and interpretation of ECS estimates across models.
Cationic contaminants are detrimental to proton-exchange-membrane water electrolyzers (PEMWEs). To obtain insight, a 1-D, nonisothermal, multiphase continuum cell model including cationic contamination is developed. Simulations of steady-state cell performance predict decreased performance due to an increase in kinetic overpotential associated with the hydrogen-evolution reaction, which was attributed to decreased protonic-activity within the cathode catalyst layer from proton supplantation with contaminant cations. The accumulation and extent of cation exchange in the cathode catalyst layer depends on the operating current density due to migration. Simulations of cell recovery of potential suggest that a contaminated cell can recover approximately 78% (450 mV) with 24 h of constant current density operation at 2 A cm –2 , with higher current densities accelerating reduced recovery times. Parametric studies show that anode-side acidification at lower current densities inhibit cation contaminant adsorption, and cathode-side acidification at larger current densities facilitate the expulsion of adsorbed cations; for a cathode-side pH of 6 and 5, the cell can recover an additional 10% and 100% performance, respectively. Overall, the model serves as a framework for modeling other aspects of PEMWE systems to address durability and performance aspects, which can assist in improving the viability of the technology.
Using two-dimensional particle-in-cell (PIC) together with magnetohydrodynamic (MHD) Q1 simulations of magnetotail dynamics, we investigate the evolution toward onset of reconnection and the subsequent energy transfer and conversion. In either case, reconnection onset is preceded by a driven phase, during which magnetic flux is added to the tail at the high-latitude boundaries, followed by a relaxation phase, during which the configuration continues to respond to the driving. The boundary deformation leads to the formation of thin embedded current sheets, which are bifurcated in the near tail, converging to a single sheet farther out in the MHD simulations. The thin current sheets in the PIC simulation are carried by electrons and are associated with a strong perpendicular electrostatic field, which may provide a connection to parallel potentials and auroral arcs and an ionospheric signal even prior to the onset of reconnection. The PIC simulation very well satisfies integral entropy conservation (intrinsic to ideal MHD) during this phase, supporting ideal ballooning stability. Eventually, the current intensification leads to the onset of reconnection, the formation and ejection of a plasmoid, and a collapse of the inner tail. The earthward flow shows the characteristics of a dipolarization front: enhancement of Bz, associated with a thin vertical electron current sheet in the PIC simulation. Both MHD and PIC simulations show a dominance of energy conversion from incoming Poynting flux to outgoing enthalpy flux, resulting in heating of the inner tail. Localized Joule dissipation plays only a minor role.
Abstract Improving the representation of precipitation in Earth system models is essential for understanding and projecting water cycle changes across scales. Progress has been hampered by persistent deficiencies in representing precipitation frequency, intensity, and timing in current models. Here, we analyze simulated US precipitation in the low‐resolution (LR) configuration of the Energy Exascale Earth System Model (E3SMv1) and assess the effect of two approaches to enhance the range of explicitly resolved scales: high‐resolution (HR) and multiscale modeling framework (MMF), which incur similar computational expense. Both E3SMv1‐MMF and E3SMv1‐HR capture more intense and less frequent precipitation on hourly and daily timescales relative to E3SMv1‐LR. E3SMv1‐HR improves the intensity over the Eastern and Northwestern US during winter, while E3SMv1‐MMF improves the intensity over the Eastern US and summer diurnal timing over the Central US. These results indicate that both methods may be needed to improve simulations of different storm types, seasons, and regions.
This study tries to identify the coil parameters using numerical methods. The eddy current testing (ECT) is used for evaluation of a crack with the aid of numerical simulations by utilizing the identification of these parameters. In this study, a comparison of the performance of the GA and SPSA algorithms to identify the parameter values of the coil sensors are presented. So, the optimization probe geometry is introduced in the simulation with Three-dimensional finite element simulations (FLUX finite element code) were conducted to obtain eddy current signals resulting from a crack in a plate made of aluminium. The simulation results are compared with experimental measurements for the defect present in a plate.
Radiative MHD equations are used for an optically thin plasma to carry out a numerical experiment related to the formation of 'postflare' loops. The numerical experiment starts with a current sheet that is in mechanical and thermal equilibrium but is unstable to both tearing-mode and thermal-condensation instabilities. The current sheet is line-tied at one end to a photospheric-like boundary and evolves asymmetrically. The effects of thermal conduction, resistivity variation, and gravity are ignored. In general, reconnection in the nonlinear stage of the tearing-mode instability can strongly affect the onset of condensations unless the radiative-cooling time scale is much smaller than the tearing-mode time scale. When the ambient plasma is less than 0.2, the reconnection enters a regime where the outflow from the reconnection region is supermagnetosonic with respect to the fast-mode wave speed. In the supermagnetosonic regime the most rapidly condensing regions occur downstream of a fast-mode shock that forms where the outflow impinges on closed loops attached to the photospheric-like boundary. A similar shock-induced condensation might occur during the formation of 'postflare' loops.
The DoD M&S Steering Committee has noted that the current DoD and Service's modeling and simulation resource repository (MSRR) services are not up-to-date limiting their value to the using communities. However, M&S leaders and managers also determined that the Department needs a functional M&S registry card catalog to facilitate M&S tool and data visibility to support M&S activities across the DoD. The M&S Catalog will discover and access M&S metadata maintained at nodes distributed across DoD networks in a centrally managed, decentralized process that employs metadata collection and management. The intent is to link information stores, precluding redundant location updating. The M&S Catalog uses a standard metadata schemas based on the DoD's Net-Centric Data Strategy Community of Interest metadata specification. The Air Force, Navy and OSD (CAPE) have provided initial information to participating DoD nodes, but plans on the horizon are being made to bring in hundreds of source providers.
The Wide Field InfraRed Survey Telescope (WFIRST) was the highest-ranked large space-based mission of the 2010 New Worlds, New Horizons decadal survey. It is now a NASA mission in formulation with a planned launch in the mid 2020s. A primary mission objective is to precisely constrain the nature of dark energy through multiple probes, including Type Ia supernovae (SN Ia). Here, we present the first realistic simulations of the WFIRST SN survey based on current hardware specifications and using open-source tools. We simulate SN light curves and spectra as viewed by the WFIRST wide-field channel (WFC) imager and integral field channel (IFC) spectrometer, respectively. We examine 11 survey strategies with different time allocations between the WFC and IFC, two of which are based upon the strategy described by the WFIRST Science Definition Team, which measures SN distances exclusively from IFC data. We propagate statistical and, crucially, systematic uncertainties to predict the Dark Energy Task Force figure of merit (FoM) for each strategy. Of the strategies investigated, we find the most successful to be WFC focused. However, further work in constraining systematics is required to fully optimize the use of the IFC. Even without improvements to other cosmological probes, the WFIRST SN survey has the potential to increase the FoM by more than an order of magnitude from the current values. Although the survey strategies presented here have not been fully optimized, these initial investigations are an important step in the development of the final hardware design and implementation of the WFIRST mission.