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DOE OSTI2021

Entanglement rearrangement in self-consistent nuclear structure calculations

Background: Entanglement plays a central role in a diverse array of increasingly important research areas, including quantum computation, simulation, measurement, sensing, and communication. Extensive suites of investigations have been performed to better understand entanglement in atomic and molecular quantum many-body systems, while the exploration of entanglement in the structure of nuclei and their reactions is presently in its infancy. Purpose: The goal of this work is to begin investigating the entanglement properties of nuclei from first-principles nuclear many-body calculations. We attempt to identify common features and emergent structures of entanglement that could ultimately lead to new and natural many-body schemes. With an eye toward quantum accelerators in future hybrid-supercomputers, criteria for partitioning nuclear many-body calculations into quantum and classical components may provide advantages in future large-scale computations. Along the way we look for explanations of the relative success of phenomenological models such as the nuclear shell model, and for better ways to match to low-energy nuclear effective field theories and lattice QCD calculations to nuclear many-body techniques that are based upon entanglement. Method: We explore the entanglement between single-particle states in 4 He and 6 He. The patterns of entanglement emerging from different single-particle bases are compared, and possible links with the convergence of observables are explored, in particular, ground-state energies. The nuclear wave functions are obtained by performing active-space no-core configuration-interaction calculations using a two-body nucleon-nucleon interaction derived from chiral effective field theory. Entanglement measures within single-particle bases exhibiting different degrees of complexity are determined, in particular, harmonic oscillator (HO), Hartree-Fock (HF), natural (NAT) and variational natural (VNAT) bases. Specifically, single-orbital entanglement entropy, two-orbital mutual information, and negativity are studied. Results: The entanglement structures in 4 He and 6 He are found to be more localized within NAT and VNAT bases than within a HO basis for the optimal HO parameters we have worked with. In particular a core-valence structure clearly emerges from the full no-core calculation of 6 He. Here, the two-nucleon mutual information shows that the VNAT basis, which typically exhibits good convergence properties, effectively decouples the active and inactive spaces. Conclusions: Measures of one- and two-nucleon entanglement are found to be useful in analyzing the structure of nuclear wave functions, in particular the efficacy of basis states, and may provide useful metrics toward developing more efficient schemes for ab initio computations of the structure and reactions of nuclei, and quantum many-body systems more generally.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2016

Beaming of particles and synchrotron radiation in relativistic magnetic reconnection

Relativistic reconnection has been invoked as a mechanism for particle acceleration in numerous astrophysical systems. According to idealized analytical models, reconnection produces a bulk relativistic outflow emerging from the reconnection sites (X-points). The resulting radiation is therefore highly beamed. Using two-dimensional particle-in-cell simulations, we investigate particle and radiation beaming, finding a very different picture. Instead of having a relativistic average bulk motion with an isotropic electron velocity distribution in its rest frame, we find that the bulk motion of the particles in X-points is similar to their Lorentz factor γ, and the particles are beamed within ∼5/γ. On the way from the X-point to the magnetic islands, particles turn in the magnetic field, forming a fan confined to the current sheet. Once they reach the islands they isotropize after completing a full Larmor gyration and their radiation is no longer strongly beamed. The radiation pattern at a given frequency depends on where the corresponding emitting electrons radiate their energy. Lower-energy particles that cool slowly spend most of their time in the islands and their radiation is not highly beamed. Only particles that quickly cool at the edge of the X-points generate a highly beamed fan-like radiation pattern. The radiation emerging from these fast cooling particles is above the burn-off limit (∼100 MeV in the overall rest frame of the reconnecting plasma). This has significant implications for models of gamma-ray bursts and active galactic nuclei that invoke beaming in that frame at much lower energies.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Skyrmion-like Spin Textures Emerging in the Material Derived from Structural Frustration

Magnetic materials with complex spin textures present both fundamental and practical appeal. The complex patterns of magnetic moments emerging on underlying crystal lattices hold potential for robust information storage and processing, including the promise of topological quantum computing. The scope of materials that host such patterns, however, remains rather limited. Here, in this study, we report a discovery of a complex spin texture in a noncentrosymmetric material that emerges from the structural frustration at the boundary between centrosymmetric parent structures MnCoGe (the hexagonal Ni 2 In or the orthorhombic TiNiSi structure type) and MnCoAs (the TiNiSi structure type). Our findings demonstrate that such structural frustration provides a powerful handle for identifying compositional spaces where complex magnetic behavior and associated nontrivial magnetic structures are likely to emerge. Thus, the new phase MnCoGe 1/3 As 2/3 exhibits a modulated cycloidal antiferromagnetic arrangement of electron spins on a noncentrosymmetric lattice (of the hexagonal ZrNiAl type) that materializes in the space between centrosymmetric collinear ferromagnets. This work provides a pathway for discovering novel materials with exotic spin textures for next-generation spintronics and quantum technologies.

Wang, YiXu [Florida State University, Tallahassee,↗

DOE OSTI2020

Macroscopic Nonuniformities in Metal Grids Formed by Cracked Film Lithography Result in 19.3% Efficient Solar Cells

Cracked film lithography (CFL) is an emerging method for patterning transparent conductive metal grids. CFL can be vacuum- and Ag-free, and it forms more durable grids than nanowire approaches. In spite of CFL’s promising transmittance/grid sheet resistance/wire spacing tradeoffs, previous solar cell demonstrations have had relatively low performance. This work introduced macroscopic nonuniformities in the grids to improve the short-circuit current density/fill factor tradeoff in small area Cu(In,Ga)Se2 cells. Furthermore, the performance of optimized baseline grids was matched by CFL grids with microscopic openings and macroscopic patterns, culminating in a 19.3%-efficient cell. Simulations show that uniform CFL grids are enhanced by patterning because it leads to better balance among shadowing, grid resistance and transparent conductive oxide resistance losses. Thin-film module efficiency calculations were performed to highlight the performance gains that metal grids can enable by eliminating the transparent conductive oxide losses and widening monoliths. Adding the patterned CFL grids demonstrated in this work to CIGS modules is predicted to reach 0.7% higher efficiency (absolute) than screen-printed grids.

14 SOLAR ENERGY↗

DOE OSTI2022

Curvature-controlled geometrical lensing behavior in self-propelled colloidal particle systems

In many biological systems, the curvature of the surfaces cells live on influences their collective properties. Curvature should likewise influence the behavior of active colloidal particles. We show using molecular simulation of self-propelled active particles on surfaces of Gaussian curvature (both positive and negative) how curvature sign and magnitude can alter the system's collective behavior. Curvature acts as a geometrical lens and shifts the critical density of motility-induced phase separation (MIPS) to lower values for positive curvature and higher values for negative curvature, which we explain theoretically by the nature of parallel lines in spherical and hyperbolic space. Curvature also fluidizes dense MIPS clusters due to the emergence of defect patterns disrupting the crystalline order inside the clusters. Using our findings, we engineer three confining surfaces that strategically combine regions of different curvature to produce a host of novel dynamical behaviors, including cyclic MIPS on spherocylinders, directionally biased cyclic MIPS on spherocones, and position dependent cluster fluctuations on metaballs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2017

Understanding the Response of Photosynthetic Metabolism in Tropical Forests to Seasonal Climate Variations. Final Report

This U.S-Brazil collaboration for GOAmazon has investigated a deceptively simple question: what controls the response of photosynthesis in Amazon tropical forests to seasonal variations in climate? In the past this question has been difficult to answer with modern earth system process models. We hypothesized that observed dry season increases in photosynthetic capacity are controlled by the phenology of leaf flush and litter fall, from which the seasonal pattern of LAI emerges. Our results confirm this hypothesis (Wu et al., 2016). Synthesis of data collected throughout the 3-year project period continues through December 31, 2017 under no-cost extensions granted to the project teams at University of Michigan and University of Arizona (Award 2). The USGS component (Award 1) ceased on the final date of the project performance period, December 31, 2016. This report summarizes the overall activities and achievements of the project, and constitutes the final project report for the USGS component. The University of Michigan will submit a separate final report that includes additional results and deliverables achieved during the period of their and the University of Arizona’s no-cost extension, which will end on December 31, 2017.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2017

Ensuring Reliable Natural Gas-Fired Generation with Fuel Contracts and Storage - DOE/NETL-2017/1816

This report finds that natural gas-fired power plants purchase fuel both on the spot market and through firm supply contracts; there do not appear to be clear drivers propelling power plants toward one or the other type. Most natural gas-fired power generators are located near major natural gas transmission pipelines, and most natural gas contracts are currently procured on the spot market. Although there is some regional variation in the type of contract used, a strong regional pattern does not emerge. Whether gas prices are higher with spot or firm contracts varies by both region and year. Natural gas prices that push the generators higher in the supply curve would make them less likely to dispatch. Most of the natural gas generators discussed in this report would be unlikely to enter firm contracts if the agreed price would decrease their dispatch frequency. The price points at which these generators would be unlikely to enter a firm contract depends upon the region that the generator is in, and how dependent that region is on natural gas. The Electric Reliability Council of Texas (ERCOT) is more dependent on natural gas than either Eastern Interconnection or Western Interconnection. This report shows that above-ground storage is prohibitively expensive with respect to providing storage for an extended operational fuel reserve comparable to the amount of on-site fuel storage used for coal-fired plants. Further, both pressurized and atmospheric tanks require a significant amount of land for storage, even to support one day’s operation at full output. Underground storage offers the only viable option for 30-day operational storage of natural gas, and that is limited by the location of suitable geologic formations and depleted fields.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2017

Ensuring Reliable Natural Gas-Fired Power Generation with Fuel Contracts and Storage

20 FOSSIL-FUELED POWER PLANTS↗

NASA NTRS1973

The measure of the moon.

Discussion of some of the procedures employed and results obtained in using photogrammetry in the Apollo lunar geology exploration program. The most modern approach to lunar photogrammetry came from orbit. The introduction into lunar orbit operations of precision metric and panorama cameras and laser altimeters provided the photographs and data through which many of the thitherto unsolvable local and lunar-wide control problems became amenable to solution. From the results obtained, there is shown to have emerged a described pattern of evolutionary sequence through which the moon has passed over the last 4.5 billion years.

Schmitt, H. H.↗

NASA NTRS1973

Remote sensing in the detection of regional change.

Investigation of the impact of the California State Water Project on the west side of the San Joaquin Valley, using aerial photo mosaics and high-altitude photography for 1957 and 1971. Particular attention is paid to a determination of gross land use change and to the detection of specific patterns of development emerging from this change. Information derived from the mapping and tabulating of data acquired in this study indicates a definite trend toward the development of an agricultural landscape and increasing intensification of land use on the west side of the San Joaquin Valley. The introduction of water into this arid region is resulting in large acreages of land being brought under cultivation. Consequently, cropland is assuming a more dominant position with respect to areal extent.

Estes, J. E.↗

NASA NTRS1983

An experimental study of entrainment and transport in the turbulent near wake of a circular cylinder

Attention is given to an experimental investigation of transport processes in the near wake of a circular cylinder, for a Reynolds number of 140,000, in which an X-array of hot wire probes mounted on a pair of whirling arms was used for flow measurement. Rotation of the arms in a uniform flow applies a wide range of relative flow angles to these X-arrays, making them inherently self-calibrating in pitch. A phase signal synchronized with the vortex-shedding process allowed a sorting of the velocity data into 16 populations, each having essentially constant phase. An ensemble average for each population yielded a sequence of pictures of the instantaneous mean flow field in which the vortices are frozen, as they would be on a photograph. The measurements also yield nonsteady mean data for velocity, intermittency, vorticity, stress, and turbulent energy production, as a function of phase. Emphasis is given in a discussion of study results to the nonsteady mean flow, which emerges as a pattern of centers and saddles in a frame of reference that moves with the eddies. The kinematics of the vortex formation process are described in terms of the formation and evolution of saddle points between vortices in the first few diameters of the near wake.

Cantwell, B.↗

NASA NTRS1998

Learning from Automation Surprises and "Going Sour" Accidents: Progress on Human-Centered Automation

Advances in technology and new levels of automation on commercial jet transports has had many effects. There have been positive effects from both an economic and a safety point of view. The technology changes on the flight deck also have had reverberating effects on many other aspects of the aviation system and different aspects of human performance. Operational experience, research investigations, incidents, and occasionally accidents have shown that new and sometimes surprising problems have arisen as well. What are these problems with cockpit automation, and what should we learn from them? Do they represent over-automation or human error? Or instead perhaps there is a third possibility - they represent coordination breakdowns between operators and the automation? Are the problems just a series of small independent glitches revealed by specific accidents or near misses? Do these glitches represent a few small areas where there are cracks to be patched in what is otherwise a record of outstanding designs and systems? Or do these problems provide us with evidence about deeper factors that we need to address if we are to maintain and improve aviation safety in a changing world? How do the reverberations of technology change on the flight deck provide insight into generic issues about developing human-centered technologies and systems (Winograd and Woods, 1997)? Based on a series of investigations of pilot interaction with cockpit automation (Sarter and Woods, 1992; 1994; 1995; 1997a, 1997 b), supplemented by surveys, operational experience and incident data from other studies (e.g., Degani et al., 1995; Eldredge et al., 1991; Tenney et al., 1995; Wiener, 1989), we too have found that the problems that surround crew interaction with automation are more than a series of individual glitches. These difficulties are symptoms that indicate deeper patterns and phenomena concerning human-machine cooperation and paths towards disaster. In addition, we find the same kinds of patterns behind results from studies of physician interaction with computer-based systems in critical care medicine (e.g., Moll van Charante et al., 1993; Obradovich and Woods, 1996; Cook and Woods, 1996). Many of the results and implications of this kind of research are synthesized and discussed in two comprehensive volumes, Billings (1996) and Woods et al. (1994). This paper summarizes the pattern that has emerged from our research, related research, incident reports, and accident investigations. It uses this new understanding of why problems arise to point to new investment strategies that can help us deal with the perceived "human error" problem, make automation more of a team player, and maintain and improve safety.

Woods, David D.↗

NASA NTRS2013

Spacecraft Parachute Recovery System Testing from a Failure Rate Perspective

Spacecraft parachute recovery systems, especially those with a parachute cluster, require testing to identify and reduce failures. This is especially important when the spacecraft in question is human-rated. Due to the recent effort to make spaceflight affordable, the importance of determining a minimum requirement for testing has increased. The number of tests required to achieve a mature design, with a relatively constant failure rate, can be estimated from a review of previous complex spacecraft recovery systems. Examination of the Apollo parachute testing and the Shuttle Solid Rocket Booster recovery chute system operation will clarify at which point in those programs the system reached maturity. This examination will also clarify the risks inherent in not performing a sufficient number of tests prior to operation with humans on-board. When looking at complex parachute systems used in spaceflight landing systems, a pattern begins to emerge regarding the need for a minimum amount of testing required to wring out the failure modes and reduce the failure rate of the parachute system to an acceptable level for human spaceflight. Not only a sufficient number of system level testing, but also the ability to update the design as failure modes are found is required to drive the failure rate of the system down to an acceptable level. In addition, sufficient data and images are necessary to identify incipient failure modes or to identify failure causes when a system failure occurs. In order to demonstrate the need for sufficient system level testing prior to an acceptable failure rate, the Apollo Earth Landing System (ELS) test program and the Shuttle Solid Rocket Booster Recovery System failure history will be examined, as well as some experiences in the Orion Capsule Parachute Assembly System will be noted.

Stewart, Christine E.↗

NASA NTRS2013

Time-Series Analysis of Supergranule Characterstics at Solar Minimum

Sixty days of Doppler images from the Solar and Heliospheric Observatory (SOHO) / Michelson Doppler Imager (MDI) investigation during the 1996 and 2008 solar minima have been analyzed to show that certain supergranule characteristics (size, size range, and horizontal velocity) exhibit fluctuations of three to five days. Cross-correlating parameters showed a good, positive correlation between supergranulation size and size range, and a moderate, negative correlation between size range and velocity. The size and velocity do exhibit a moderate, negative correlation, but with a small time lag (less than 12 hours). Supergranule sizes during five days of co-temporal data from MDI and the Solar Dynamics Observatory (SDO) / Helioseismic Magnetic Imager (HMI) exhibit similar fluctuations with a high level of correlation between them. This verifies the solar origin of the fluctuations, which cannot be caused by instrumental artifacts according to these observations. Similar fluctuations are also observed in data simulations that model the evolution of the MDI Doppler pattern over a 60-day period. Correlations between the supergranule size and size range time-series derived from the simulated data are similar to those seen in MDI data. A simple toy-model using cumulative, uncorrelated exponential growth and decay patterns at random emergence times produces a time-series similar to the data simulations. The qualitative similarities between the simulated and the observed time-series suggest that the fluctuations arise from stochastic processes occurring within the solar convection zone. This behavior, propagating to surface manifestations of supergranulation, may assist our understanding of magnetic-field-line advection, evolution, and interaction.

Dopplergrams↗

NASA NTRSDate not supplied

A Fecal Processing Technology Trade Study for Water Recovery in Various Mission Duration Scenarios

To achieve long endurance human space missions such as a trip to Mars, a fully recycled or “closed loop” water system is almost essential. Even for shorter duration missions in Earth orbit, lunar orbit, or on the surface of the moon, recovering and recycling water from as many sources as possible may prove beneficial. One source of water that has not been exploited to date is human solid waste. Herein, a trade study is performed to evaluate the ability of several fecal processing technologies to recover >80% of the water content within the waste. Human solid waste (feces) contains approximately 75% water by mass, which upon quantification, translates to ~170 g of recoverable water per crewmember per day and can scale to values of ~680 kg for a crew of 4 persons on a 1,000-day long exploration mission. Several fecal processing technologies (i.e., steam reforming, vacuum drying, freeze-drying, pyrolysis, ultrasonic drying, etc.) are analyzed using an equivalent system mass (ESM) approach to assess and compare the estimated cost for recovering fecal water – in terms of mass, power, and volume equivalents – against the water recovery mass savings for each technology. Post-use volume is also used as a secondary metric for comparison to quantify the benefits of volume reduction resulting from the fecal drying process. From said analysis, clear patterns and benefits emerge that may prove helpful for future fecal processing technology development and application to space exploration missions.

Trade study↗

DOE OSTI2023

Pattern of global spin alignment of ϕ and K*0 mesons in heavy-ion collisions

The strong force, as one of the four fundamental forces at work in the universe, governs interactions of quarks and gluons, and binds together the atomic nucleus. Notwithstanding decades of progress since Yukawa first developed a description of the force between nucleons in terms of meson exchange 1 , a full understanding of the strong interaction remains a major challenge in modern science. One remaining difficulty arises from the non-perturbative nature of the strong force, which leads to the phenomenon of quark confinement at distance scales on the order of the size of the proton. Here we show that in relativistic heavy-ion collisions, where quarks and gluons are set free over an extended volume, two species of produced vector (spin-1) mesons, namely φ and K∗0 , emerge with a surprising pattern of global spin alignment. In particular, the global spin alignment for φ is unexpectedly large, while that for K∗0 is consistent with zero. The observed spin-alignment pattern and magnitude for the φ cannot be explained by conventional mechanisms, while a model with strong force fields2, 3 accommodates the current data. This is the first time that the strong force field is experimentally supported as a key mechanism that leads to global spin alignment. We extract a quantity proportional to the intensity of the field of the strong force. Within the framework of the Standard Model, where the strong force is typically described in the quark and gluon language of Quantum Chromodynamics, the field being considered here is an effective proxy description. This is a qualitatively new class of measurement, which opens a new avenue for studying the behaviour of strong force fields via their imprint on spin alignment.

Abdallah, M. S.↗

DOE OSTI2026

Assessing the Application of a Genomic Network Analysis in Population Ecology: Inferring Patterns of Dispersal and Geographic Structure in the Emerging Pathogen, Coccidioides

A challenge in population ecology studies is identifying how to best group individuals into populations, especially when individual origin is unknown. Machine learning has improved upon traditional methods of identifying population structure and is more efficient at handling large, complex datasets. We demonstrate the applicability of a machine learning method to identify hierarchical population structure in an emerging pathogen, Coccidioides spp., the causative agent of Valley fever. We compared the network clusters to structure identified by traditional tools as a validation of the network performance. We used publicly available whole-genome data for 48 C. immitis and 102 C. posadasii, resulting in 168,211 genome-wide SNPs among the two species. The network analysis grouped samples into populations comparable to the literature for these species but also identified fine-scale geographic structure and travel-associated cases not reported thus far. Exploring different resolutions in the network made it easy to identify unique genotypes specific to California and possibly Nevada, as well as Phoenix- and Tucson-acquired infections in non-endemic areas, regardless of reported travel history. The present study provides a promising example of how a ML-based network analysis can improve our ability to understand pathogen ecology, group cases into populations and infer travel-associated infections.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

Sea Level Rise in the CESM Large Ensemble: The Role of Individual Climate Forcings and Consequences for the Coming Decades

The emergence of a spatial pattern in the externally forced response (FR) of dynamic sea level (DSL) during the altimeter era has recently been demonstrated using climate models but our understanding of its initial emergence, drivers, and implications for the future is poor. Here the anthropogenic forcings of the DSL pattern are explored using the Community Earth System Model Large Ensemble (CESM-LE) and Single-Forcing Large Ensemble, a newly available set of simulations where values of individual forcing agents remain fixed at 1920 levels, allowing for an estimation of their effects. Statistically significant contributions to the DSL FR are identified for greenhouse gases (GHGs) and industrial aerosols (AERs), with particularly strong contributions resulting from AERs in the mid-twentieth century and GHGs in the late twentieth and twenty-first century. Secondary, but important, contributions are identified for biomass burning aerosols in the equatorial Atlantic Ocean in the mid-twentieth century, and for stratospheric ozone in the Southern Ocean during the late twentieth century. Key to understanding regional DSL patterns are ocean heat content and salinity anomalies, which are driven by surface heat and freshwater fluxes, ocean dynamics, and the spatial structure of seawater thermal expansivity. Finally, potential implications for the interpretation of DSL during the satellite era and the longer records from tide gauges are suggested as a topic for future research.

54 ENVIRONMENTAL SCIENCES↗