Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Many electron systems”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,657 records · Page 92

Investigation of local distortion effects on X-ray absorption of ferroelectric perovskites from first principles simulations

Understanding the role of ferroelectric polarization in modulating the electronic and structural properties of crystals is critical for advancing these materials for overcoming various technological and scientific challenges. However, due to difficulties in performing experimental methods with the required resolution, or in interpreting the results of methods therein, the nanoscale morphology and response of these surfaces to external electric fields has not been properly elaborated. Here, in this work, we investigate the effect of ferroelectric polarization and local distortions in a BaTiO 3 perovskite, using two widely used computational approaches which treat the many-body nature of X-ray excitations using different philosophies, namely the many-body, delta-self-consistent-field determinant (mb-ΔSCF) and the Bethe–Salpeter equation (BSE) approaches. We show that in agreement with our experiments, both approaches consistently predict higher excitations of the main peak in the O–K edge for the surface with upward polarization. However, the mb-ΔSCF approach mostly fails to capture the L 2,3 separations at the Ti–L edge, due to the absence of spin–orbit coupling in Kohn–Sham density functional theory (KS-DFT) at the generalized gradient approximation level. On the other hand, and most promising, we show that application of the GW/BSE approach successfully reproduces the experimental XAS, both the relative peak intensities as well as the L 2,3 separations at the Ti–L edges upon ferroelectric switching. Thus simulated XAS is shown to be a powerful method for capturing the nanoscale structure of complex materials, and we underscore the need for many-body perturbation approaches, with explicit consideration of core-hole and multiplet effects, for capturing the essential physics in these systems.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Optical Analysis of Transparent Polymeric Material Exposed to Simulated Space Environment

Many innovations in spacecraft power and propulsion have been recently tested at NASA, particularly in non-chemical propulsion. One improvement in solar array technology is solar concentration using thin polymer film Fresnel lenses. Weight and cost savings were proven with the Solar Concentrator Arrays with Refractive Linear Element Technology (SCARLET)-II array on NASA's Deep Space I spacecraft. The Fresnel lens concentrates solar energy onto high-efficiency solar cells, decreasing the area of solar cells needed for power. Continued efficiency of this power system relies on the thin film's durability in the space environment and maintaining transmission in the 300 - 1000 nm bandwidth. Various polymeric materials have been tested for use in solar concentrators, including Lexan(TM), polyethylene terephthalate (PET), several formulations of Tefzel(Tm) and Teflon(TM), and DC 93-500, the material selected for SCARLET-II. Also tested were several innovative materials including Langley Research Center's CPI and CP2 polymers and atomic oxygen- resistant polymers developed by Triton Systems, Inc. The Environmental Effects Group of the Marshall Space Flight Center's Materials, Processes, and Manufacturing Department exposed these materials to simulated space environment and evaluated them for any change in optical transmission. Samples were exposed to a minimum of 1000 equivalent Sun hours of near-UV radiation (250 - 400 nm wavelength). Materials that appeared robust after near-UV exposure were then exposed to charged particle radiation equivalent to a five-year dose in geosynchronous orbit. These exposures were performed in MSFC's Combined Environmental Effects Test Chamber, a unique facility with the capability to expose materials simultaneously or sequentially to protons, low-energy electrons, high-energy electrons, near UV radiation and vacuum UV radiation. Reflectance measurements can be made on the samples in vacuum. Prolonged exposure to the space environment will decrease the polymer film's transmission and thus reduce the conversion efficiency. A method was developed to normalize the transmission loss and thus rank the materials according to their tolerance to space environmental exposure. Spectral results and the material ranking according to transmission loss are presented.

Edwards, David L.↗

Design and performance of the Fermilab Constant Fraction Discriminator ASIC

Here, we present the design and performance characterization results of the novel Fermilab Constant Fraction Discriminator ASIC (FCFD) developed to readout low gain avalanche detector (LGAD) signals by directly using a constant fraction discriminator (CFD) to measure signal arrival time. Silicon detectors with time resolutions less than 30ps will play a critical role in future collider experiments, and LGADs have been demonstrated to provide the required time resolution and radiation tolerance for many such applications. The FCFD has a specially designed discriminator that is robust against amplitude variations of the signal from the LGAD that normally requires an additional correction step when using a traditional leading edge discriminator. The application of the CFD directly in the ASIC promises to be more reliable and reduces the complication of evolving time-walk corrections throughout the operational lifetime of the detector system. We will present a summary of the measured performance of the FCFD for input signals generated by internal charge injection, LGAD signals from an infrared laser, and LGAD signals from minimum-ionizing particles. The mean time response for LGAD signals with charge ranging between 5 and 26 fC has been measured to vary no more than 10ps, orders of magnitude more stable than an uncorrected leading edge discriminator based measurement, and effectively removes the need for any additional time-walk correction. The measured contribution to the time resolution from the FCFD ASIC is found to be 10ps for signals with charge above 20fC.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Quantum Spin Torque Driven Transmutation of an Antiferromagnetic Mott Insulator

The basic model of spin-transfer torque (STT) in antiferromagnetic spintronics considers the exchange of angular momentum between quantum spins of flowing electrons and noncollinear-to-them localized spins treated as classical vectors. These vectors are assumed to realize Néel order in equilibrium, ↑ ↓ ∙∙∙ ↑ ↓, and their STT-driven dynamics is described by the Landau-Lifshitz-Gilbert (LLG) equation. However, many experimentally employed materials (such as archetypal NiO) are strongly electron-correlated antiferromagnetic Mott insulators (AFMIs) whose localized spins form a ground state quite different from the unentangled Néel state | ↑ ↓ ∙∙∙ ↑ ↓$\rangle$. The true ground state is entangled by quantum spin fluctuations, leading to the expectation value of all localized spins being zero, so that LLG dynamics of classical vectors of fixed length rotating due to STT cannot even be initiated. Instead, a fully quantum treatment of both conduction electrons and localized spins is necessary to capture the exchange of spin angular momentum between them, denoted as quantum STT. We use a recently developed time-dependent density matrix renormalization group approach to quantum STT to predict how injection of a spin-polarized current pulse into a normal metal layer coupled to an AFMI overlayer via exchange interaction and possibly small interlayer hopping—mimicking, e.g., topological-insulator/NiO bilayer employed experimentally—will induce a nonzero expectation value of AFMI localized spins. This new nonequilibrium phase is a spatially inhomogeneous ferromagnet with a zigzag profile of localized spins. The total spin absorbed by AFMI increases with electron-electron repulsion in AFMIs, as well as when the two layers do not exchange any charge.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Quantum many-body simulations of the two-dimensional Fermi-Hubbard model in ultracold optical lattices

Understanding quantum many-body states of correlated electrons is one main theme in modern condensed-matter physics. Given that the Fermi-Hubbard model, the prototype of correlated electrons, was recently realized in ultracold optical lattices, it is highly desirable to have controlled numerical methodology to provide precise finite-temperature results upon doping to directly compare with experiments. Here, we demonstrate the exponential tensor renormalization group (XTRG) algorithm [Chen et al., Phys. Rev. X 8, 031082 (2018)], complemented by independent determinant quantum Monte Carlo, offers a powerful combination of tools for this purpose. XTRG provides full and accurate access to the density matrix and thus various spin and charge correlations, down to an unprecedented low temperature of a few percent of the tunneling energy. Finally, we observe excellent agreement with ultracold fermion measurements at both half filling and finite doping, including the sign-reversal behavior in spin correlations due to formation of magnetic polarons, and the attractive hole-doublon and repulsive hole-hole pairs that are responsible for the peculiar bunching and antibunching behaviors of the antimoments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

The Science Behind the NASA/NOAA Electronic Theater 2002

Details of the science stories and scientific results behind the Etheater Earth Science Visualizations from the major remote sensing institutions around the country will be explained. The NASA Electronic Theater presents Earth science observations and visualizations in a historical perspective. Fly in from outer space to Temple Square and the University of Utah Campus. Go back to the early weather satellite images from the 1960s see them contrasted with the latest US/Europe/Japan global weather data. See the latest images and image sequences from NASA & NOAA missions like Terra, GOES, NOAA, TRMM, SeaWiFS, Landsat 7 visualized with state-of-the art tools. A similar retrospective of numerical weather models from the 1960s will be compared with the latest "year 2002" high-resolution models. See the inner workings of a powerful hurricane as it is sliced and dissected using the University of Wisconsin Vis-5D interactive visualization system. The largest super computers are now capable of realistic modeling of the global oceans. See ocean vortexes and currents that bring up the nutrients to feed phitoplankton and zooplankton as well as draw the crill fish, whales and fisherman. See the how the ocean blooms in response to these currents and El Nino/La Nina climate regimes. The Internet and networks have appeared while computers and visualizations have vastly improved over the last 40 years. These advances make it possible to present the broad scope and detailed structure of the huge new observed and simulated datasets in a compelling and instructive manner. New visualization tools allow us to interactively roam & zoom through massive global images larger than 40,000 x 20,000 pixels. Powerful movie players allow us to interactively roam, zoom & loop through 4000 x 4000 pixel bigger than HDTV movies of up to 5000 frames. New 3D tools allow highly interactive manipulation of detailed perspective views of many changing model quantities. See the 1m resolution before and after shots of lower Manhattan and the Pentagon after the September 11 disaster as well as shots of Afghanistan from the Space Imaging IKONOS as well as debris plume images from Terra MODIS and SPOT Image. Shown by the SGI-Octane Graphics-Supercomputer are visualizations of hurricanes Michelle 2001, Floyd, Mitch, Fran and Linda. Our visualizations of these storms have been featured on the covers of the National Geographic, Time, Newsweek and Popular Science. Highlights will be shown from the NASA's large collection of High Definition TV (HDTV) visualizations clips New visualizations of a Los Alamos global ocean model, and high-resolution results of a NASA/JPL Atlantic ocean basin model showing currents, and salinity features will be shown. El Nino/La Nina effects on sea surface temperature and sea surface height of the Pacific Ocean will also be shown. The SST simulations will be compared with GOES Gulf Stream animations and ocean productivity observations. Tours will be given of the entire Earth's land surface at 500 m resolution from recently composited Terra MODIS data, Visualizations will be shown from the Earth Science Etheater 2001 recently presented over the last years in New Zealand, Johannesburg, Tokyo, Paris, Munich, Sydney, Melbourne, Honolulu, Washington, New York City, Pasadena, UCAR/Boulder, and Penn State University. The presentation will use a 2-CPU SGI/CRAY Octane Super Graphics workstation with 4 GB RAM and terabyte disk array at 2048 x 768 resolution plus multimedia laptop with three high resolution projectors. Visualizations will also be featured from museum exhibits and presentations including: the Smithsonian Air & Space Museum in Washington, IMAX theater at the Maryland Science Center in Baltimore, the James Lovell Discovery World Science museum in Milwaukee, the American Museum of Natural History (NYC) Hayden Planetarium IMAX theater, etc. The Etheater is sponsored by NASA, NOAA and the American Meteorological Society. This presentation is brought to you by the University of Utah College of Mines and Earth Sciences and, the Utah Museum of Natural History.

Hasler, A. Fritz↗

Ultra-Compact Motor Controller

This invention is an electronically commutated brushless motor controller that incorporates Hall-array sensing in a small, 42-gram package that provides 4096 absolute counts per motor revolution position sensing. The unit is the size of a miniature hockey puck, and is a 44-pin male connector that provides many I/O channels, including CANbus, RS-232 communications, general-purpose analog and digital I/O (GPIO), analog and digital Hall inputs, DC power input (18-90 VDC, 0-l0 A), three-phase motor outputs, and a strain gauge amplifier. This controller replaces air cooling with conduction cooling via a high-thermal-conductivity epoxy casting. A secondary advantage of the relatively good heat conductivity that comes with ultra-small size is that temperature differences within the controller become smaller, so that it is easier to measure the hottest temperature in the controller with fewer temperature sensors, or even one temperature sensor. Another size-sensitive design feature is in the approach to electrical noise immunity. At a very small size, where conduction paths are much shorter than in conventional designs, the ground becomes essentially isopotential, and so certain (space-consuming) electrical noise control components become unnecessary, which helps make small size possible. One winding-current sensor, applied to all of the windings in fast sequence, is smaller and wastes less power than the two or more sensors conventionally used to sense and control winding currents. An unexpected benefit of using only one current sensor is that it actually improves the precision of current control by using the "same" sensors to read each of the three phases. Folding the encoder directly into the controller electronics eliminates a great deal of redundant electronics, packaging, connectors, and hook-up wiring. The reduction of wires and connectors subtracts substantial bulk and eliminates their role in behaving as EMI (electro-magnetic interference) antennas. A shared knowledge by each motor controller of the state of all the motors in the system at 500 Hz also allows parallel processing of higher-level kinematic matrix calculations.

Townsend, William T.↗

Kennedy's Biomedical Laboratory Makes Multi-Tasking Look Easy

If it is one thing that Florida has in abundance, it is sunshine and with that sunshine heat and humidity. For workers at the Kennedy Space Center that have to work outside in the heat and humidity, heat exhaustion/stroke is a real possibility. It might help people to know that Kennedy's Biomedical Laboratory has been testing some new Koolvests(Trademark) that can be worn underneath SCAPE suits. They have also been working on how to block out high noise levels; in fact, Don Doerr, chief of the Biomedical Lab, says, "The most enjoyable aspect is knowing that the Biomedical Lab and the skills of its employees have been used to support safe space flight, not only for the astronaut flight crew, but just as important for the ground processing personnel as well." The NASA Biomedical Laboratory has existed in the John F. Kennedy's Operations and Checkout Building since the Apollo Program. The primary mission of this laboratory has been the biomedical support to major, manned space programs that have included Apollo, Apollo-Soyuz, Skylab, and Shuttle. In this mission, the laboratory has been responsible in accomplishing much of the technical design, planning, provision, fabrication, and maintenance of flight and ground biomedical monitoring instrumentation. This includes the electronics in the launch flight suit and similar instrumentation systems in the spacecraft. (Note: The Lab checked out the system for STS-128 at Pad A using Firing room 4 and ground support equipment in the lab.) During Apollo, there were six engineers and ten technicians in the facility. This has evolved today to two NASA engineers and two NASA technicians, a Life Science Support contract physiologist and part-time support from an LSSC nurse and physician. Over the years, the lab has enjoyed collaboration with outside agencies and investigators. These have included on-site support to the Ames Research Center bed rest studies (seven years) and the European Space Agency studies in Toulouse, France (two years). The lab has also actively collaborated with the US Army Institute for Surgical Research, the USAF School of Aerospace Medicine, and the USN Naval Experimental Diving Unit. Because the lab often evaluates various forms of commercial-off-the-shelf life support equipment, the laboratory works closely with private companies, both domestic and foreign. The European companies seem to be more proactive and participatory with the advancement of personal protective equipment. Because these companies have viewed the space program's unique need for advanced forms of personal protective equipment, some have responded with new designs based on the prediction that these advances will soon find markets in the commercial sector. Using much of the same skills and equipment, the laboratory also addresses physiological testing of humans by supporting flight experiments and personnel involved with ground processing. While Johnson Space Center is primarily responsible for flight experiments, the Kennedy's Biomedical Lab provides the local support. However, as stated above, there are many challenges facing KSC workers that gain the attention of this lab in the measurement of the problem and the selection and testing of countermeasures. These include respiratory protection, whole body suits, hearing protection and heat stress, among many others.

Dunn, Carol Anne↗

Wearable radio-frequency sensing of respiratory rate, respiratory volume, and heart rate

Abstract Many health diagnostic systems demand noninvasive sensing of respiratory rate, respiratory volume, and heart rate with high user comfort. Previous methods often require multiple sensors, including skin-touch electrodes, tension belts, or nearby off-the-body readers, and hence are uncomfortable or inconvenient. This paper presents an over-clothing wearable radio-frequency sensor study, conducted on 20 healthy participants (14 females) performing voluntary breathing exercises in various postures. Two prototype sensors were placed on the participants, one close to the heart and the other below the xiphoid process to couple to the motion from heart, lungs and diaphragm, by the near-field coherent sensing principle. We can achieve a satisfactory correlation of our sensor with the reference devices for the three vital signs: heart rate ( r = 0.95), respiratory rate ( r = 0.93) and respiratory volume ( r = 0.84). We also detected voluntary breath-hold periods with an accuracy of 96%. Further, the participants performed a breathing exercise by contracting abdomen inwards while holding breath, leading to paradoxical outward thorax motion under the isovolumetric condition, which was detected with an accuracy of 83%.

60 APPLIED LIFE SCIENCES↗

"Electrostructural Phase Changes" In Charged Particulate Clouds: Planetary and Astrophysical Implications

There is empirical evidence that freely-suspended triboelectrostatically charged particulate clouds of dielectric materials undergo rapid conversion from (nominally) monodispersed "aerosols" to a system of well-defined grain aggregates after grain motion or fluid turbulence ceases within the cloud. In United States Microgravity Laboratory Space Shuttle experiments USML-1 and USML-2, it was found that ballistically-energized grain dispersions would rapidly convert into populations of filamentary aggregates after natural fluid (air) damping of grain motion. Unless continuously disrupted mechanically, it was impossible to maintain a non-aggregated state for the grain clouds of sand-size materials. Similarly, ground- based experiments with very fine dust-size material produced the same results: rapid, impulsive "collapse" of the dispersed grains into well-defined filamentary structures. In both ground-based and microgravity experiments, the chains or filaments were created by long-range dipole electrostatic forces and dipole-induced dielectric interactions, not by monopole interactions. Maintenance of the structures was assisted by short-range static boundary adhesion forces and van der Waals interactions. When the aggregate containers in the USML experiments were disturbed after aggregate formation, the quiescently disposed filaments would rearrange themselves into fractal bundles and tighter clusters as a result of enforced encounters with one another. The long-range dipole interactions that bring the grains together into aggregates are a product of randomly-distributed monopole charges on the grain surfaces. In computer simulations, it has been shown that when the force vectors of all the random charges (of both sign) on a grain are resolved mathematically by assuming Coulombic interaction between them, the net result is a dipole moment on individual grains, even though the grains are electrically neutral insofar as there is no predominance, on their surface, of one charge sign over another. The random charges of both sign derive from natural grain-to-grain interactions that produce triboelectrification via charge exchange every time grain surfaces make contact with one another. The conversion from a random distribution of grains (upon which there are randomly distributed charges) into an organization of electrostatically-ordered aggregates, can be regarded (within the framework of granular-material science) as an "electrical or Coulombic phase change" of the particulate cloud. It is not totally dissimilar from the more normal phase-change concept in which, for example, a gas with long free-path-molecules suddenly becomes a solid as a result of structural ordering of the molecules (notably, also the result of electronic forces, albeit at a different scale). In both the gas-to-solid case, and the aerosol-to-aggregate case, the same materials and charges are present before and after the phase change, but their arrangement now has a higher degree of order and a lower-energy configuration. An input of energy into the system is required to reverse the situation. The aggregates in the USML experiments were observed to undergo at least two phase changes as noted above. The point about phase changes, and by implication, the "electrostructural" reorganizations in particulate clouds, is the following: (a) they can occur very rapidly, almost spontaneously, above a critical cloud density, (b) in going from a higher energy state to a lower energy state, they convert to a denser system, (c) energy must be required to reverse the situation, implying that energy is released during the high-to-low energy phase change. In applying this information to natural particulate clouds, some inferences can be made (it is stressed that reference is still to dielectric materials attracted by dipole forces). There are several natural settings to which the USML observations apply, and to which the phase-change implications likewise apply. Dense clouds of triboelectrically-charged, kinetically-energized grains are to be found in volcanic eruptions (particularly on earth), aeolian dust storms (particularly on Mars), meteorite impact ejecta curtains (on all planets), in "immature" debris rings around planets (e.g., that from which our own Moon may have condensed), and in gravitationally collapsing protoplanetary dust/planetesimal debris disks where dielectric granules are being increasingly brought into collisional relationships with one another (increasing both charge exchange and physical proximity). It is noted that in many of these cases, the degree of electrical charging on the grains is likely to be much higher than that in the USML experiments where charging was not enhanced above the "normal", naturally encountered level for the particular materials (quartz, glass, and various silicate minerals). Application of the phase-change concept suggests that volcanic, aeolian, and impact debris clouds may, under certain circumstances, undergo rapid, impulsive, or even catastrophic collapse into a denser state that will lead to rapid precipitation or fall-out of suspended particulates. Although this idea has been suggested previously by the author , the phase change concept possibly permits some new insights into cloud-system behavior. For example, in a protoplanetary debris disk, the work of gravity may suddenly be enhanced by electrostatically driven collapse of the system when materials reach a critical intergranular spacing or grain number density. This might reduce the rate of planet formation by orders of magnitude (considering the ratio of g-forces to electrostatic ones for very small grains in close proximity), and indeed, it might drive the collapse into a system configuration that would perhaps not be created by gravity alone. Additional information is contained in the original.

Marshall, J. R.↗

An information-matching approach to optimal experimental design and active learning

The efficacy of mathematical models heavily depends on the quality of the training data, yet collecting sufficient data is often expensive and challenging. Many modeling applications require inferring parameters only as a means to predict other quantities of interest (QoI). Because models often contain many unidentifiable (sloppy) parameters, QoIs often depend on a relatively small number of parameter combinations. Therefore, we introduce an information-matching criterion based on the Fisher information matrix to select the most informative training data from a candidate pool. This method ensures that the selected data contain sufficient information to learn only those parameters that are needed to constrain downstream QoIs. It is formulated as a convex optimization problem, making it scalable to large models and datasets. Here, we demonstrate the effectiveness of this approach across various modeling problems in diverse scientific fields, including power systems and underwater acoustics. Finally, we use information-matching as a query function within an active learning (AL) loop for materials science applications. In all these applications, we find that a relatively small set of optimal training data can provide the necessary information for achieving precise predictions. These results are encouraging for diverse future applications, particularly AL in large machine-learning models.

Materials science↗

Quantum simulation of quantum phase transitions using the convex geometry of reduced density matrices

Transitions of many-particle quantum systems between distinct phases at absolute-zero temperature, known as quantum phase transitions, require an exacting treatment of particle correlations. Here in this work, we present a general quantum-computing approach to quantum phase transitions that exploits the geometric structure of reduced density matrices. While typical approaches to quantum phase transitions examine discontinuities in the order parameters, the origin of phase transitions—their order parameters and symmetry breaking—can be understood geometrically in terms of the set of two-particle reduced density matrices (2-RDMs). The convex set of 2-RDMs provides a comprehensive map of the quantum system including its distinct phases as well as the transitions connecting these phases. Because 2-RDMs can potentially be computed on quantum computers at nonexponential cost, even when the quantum system is strongly correlated, they are ideally suited for a quantum-computing approach to quantum phase transitions. We compute the convex set of 2-RDMs for a Lipkin-Meshkov-Glick spin model on IBM superconducting-qubit quantum processors. Even though computations are limited to few-particle models due to device noise, comparisons with a classically solvable 1000-particle model reveal that the finite-particle quantum solutions capture the key features of the phase transitions including the strong correlation and the symmetry breaking.

74 ATOMIC AND MOLECULAR PHYSICS↗

Electromagnetic production of kaons on the nucleon

Studies of the electromagnetic production of strange quarks started in the 1950s as something of a curiosity that puzzled experimentalists and theorists alike. Eventually, a nascent understanding of these processes began to take shape through the first pioneering experiments dedicated to explore photo- and electroproduction that were carried out in the period from the 1950s to the 1980s. As the datasets increased, concomitant advances in theoretical models were realized. However, these initial studies also made clear that more precise data was essential to continue to move forward. A paradigm shift occurred in the 1990s with the development of second-generation facilities at ELSA, MAMI, SPring-8, and JLab. High-intensity, high duty-factor accelerators, coupled with novel detector systems and advances in computing and readout electronics, brought nuclear physics experiments forward by orders of magnitude in counting statistics compared to the first-generation efforts. This was an utter boon to strangeness physics investigations, and to date, more than 50 dedicated experiments in kaon photo- and electroproduction have been completed at facilities around the world, leading to a host of experimental observables that have enabled significant advances in the exploration of strongly interacting systems that decay via $s\bar{s}$ quark pair creation. These data have proven to be an essential complementary pathway to study the spectrum and structure of the excited states of the nucleon, and the search for missing and exotic baryon configurations. As well, investigations in these channels are requisite for exploring hypernuclear production as a probe of the $YN$ interaction and for studies of the electromagnetic form factors of strange mesons. This review was designed to provide the first-ever in-depth overview of both the experimental and theoretical progress in the field of the electromagnetic production of strangeness. This work looks back over 70 years of past developments, discusses ongoing work and near-term plans, and details future possibilities being considered for third-generation facilities. Extensive lists of the available datasets and theoretical models are provided, together with a comprehensive supporting bibliography of the field. Throughout this work, the primary impacts of these explorations are highlighted, along with connections to a wide range of related phenomenological applications. An important goal of this review is to provide a complete, (reasonably) self-contained guide into this field prepared at a level that is relevant for both new and seasoned scientists, whether experimentalists, phenomenologists, or theorists, to better understand what has been accomplished by so many dedicated folks-each building on what has come before-and to appreciate the exciting future potential for continued studies in this area.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Separation of Kondo lattice coherence from crystal electric field in CeIn 3 with Nd substitutions

The Ce m M n In 3m+2n (m=1,2;n=0,1) family has been one of the most studied families of heavy fermion compounds. This family has revealed many interesting low-temperature physics phenomena, like quantum critical points, heavy fermion superconductivity, and non-Fermi liquid behavior, when these materials are exposed to pressure, magnetic fields, and/or chemical substitution. In this work, we provide a thorough investigation of the Ce 1-x Nd x In 3 phase diagram through single crystal synthesis, x-ray diffraction, energy-dispersive spectroscopy, magnetic susceptibility, and electrical resistivity measurements. Previous electrical resistivity measurements on CeIn 3 reveal a broad maximum, T max ~50 K, which has been associated with the Kondo lattice coherence crossover and/or the crystal electric field depopulation effect as the 4f electrons condense from the high-energy quartet down to the ground state doublet. Our findings show that in the most disordered substitution region, x=0.4–0.5, these features disjoin to reveal two distinct broad humps in electrical resistivity measurements. Magnetic susceptibility and electrical resistivity data on Ce 1-x Nd x In 3 also reveal the antiferromagnetic ordering competition between CeIn 3 and NdIn 3 , where the T N of CeIn 3 is linearly suppressed to a critical concentration of x Nd ~0.6. This concentration is slightly lower than what was previously reported in nonmagnetically substituted Ce 1-x La x In 3 . Our magnetic susceptibility measurements and subsequent simulations show that in the CeIn 3 antiferromagnetic regime, x Nd ≤0.4, the Nd ions act as free paramagnets. The large magnitude of the associated paramagnetic response then masks the overlapping antiferromagnetic ordering signature of the Ce ions. Overall our study further sheds light on the underlying crystal electric field and Kondo lattice coherence interactions within the Ce m M n In 3m+2n family and could stimulate further studies of these systems via neutron diffraction or under applied pressure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Influence of Markovianity and self-consistency on time-resolved spectral functions of driven quantum systems

We present a systematic comparison of the real-time Dyson expansion (RTDE) with established nonequilibrium Green's function (GF) approaches for simulating driven, interacting quantum systems. Focusing on density matrix dynamics, time-off-diagonal GFs, and time-resolved photoemission spectra, we benchmark RTDE against fully self-consistent Kadanoff-Baym equation (KBE) calculations, the generalized Kadanoff-Baym ansatz, and exact diagonalization for small systems using second-order many-body perturbation theory. Using a driven two-band Hubbard model, we show that mean-field single-particle density matrix trajectories provide a reliable baseline for RTDE across a broad range of interaction strengths and excited-carrier populations. Further, RTDE accurately captures correlation effects in the GFs, including long-lived oscillations and revivals that are strongly suppressed by the overdamping inherent to self-consistent KBE schemes. As a consequence, RTDE resolves rich nonequilibrium spectral structure in time-resolved photoemission, such as interaction- and population-dependent quasiparticle splittings and band gap renormalization, which are largely washed out in self-consistent approaches yet are present in exact solutions. Furthermore, our results demonstrate that RTDE bridges the gap between mean-field propagation and full two-time KBE simulations, retaining favorable linear scaling while capturing essential dynamical correlations relevant for ultrafast spectroscopy.

Electronic structure↗

Capturing many-body correlation effects with quantum and classical computing

Theoretical descriptions of excited states of molecular systems in high-energy regimes are crucial for supporting and driving many experimental efforts at light source facilities. However, capturing their complicated correlation effects requires formalisms that provide a hierarchical infrastructure of approximations. These approximations lead to an increased overhead in classical computing methods and, therefore, decisions regarding the ranking of approximations and the quality of results must be made on purely numerical grounds. The emergence of quantum computing methods has the potential to change this situation. Here, in this study, we demonstrate the efficiency of the quantum phase estimator (QPE) in identifying core-level states relevant to x-ray photoelectron spectroscopy. We compare and validate the QPE predictions with exact diagonalization and real-time equation-of-motion coupled-cluster formulations, which are some of the most accurate methods for states dominated by collective correlation effects.

74 ATOMIC AND MOLECULAR PHYSICS↗

Analysis of diagonal G and subspace W approximations within fully self-consistent GW calculations for bulk semiconducting systems

Fully self-consistent GW (sc-GW) methods are now available to evaluate quasiparticle and spectral properties of various molecular and bulk systems. However, such techniques based on the full matrix of G and W are computationally demanding. Additionally, the routinely used single-shot GW approximation (G 0 W 0 ) has an undesirable dependency on the choice of initial exchange-correlation functional. In the literature, many so-called self-consistent GW methods are based on diagonal approximation of G and low-ranking approximation of W. It is thus worth checking how good such approximations are in comparison with the full matrix method. In this work, we consider AlAs, AlP, GaP, and ZnS as the prototype systems to perform sc-GW calculations by expressing the full G matrix using a plane-wave basis set. We compared our sc-GW results with the diagonal G and subspace W approximated sc-GW results (sc-GW-diagG and sc-GW-subW methods). In the sc-GW-diagG method, interacting G is expanded in the eigenvectors of noninteracting G such that only diagonal elements are retained, whereas the number of eigenmodes is truncated in sc-GW-subW calculations. A systematic analysis of the results obtained from the above techniques is presented. The differences in the quasiparticle band gap between the approximated and the full matrix sc-GW approaches are mostly less than 1.7%, which validates such widely adopted approximations, and also shows how such low-ranking approximation can be used to include higher-order terms such as the vertex correction.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

An Investigation of Thermal Properties of 2D Materials [Dissertation]

Studying the thermal conductivity of 2D materials is important due to the applications of 2D materials in fields such as thermal management, thermoelectricity, renewable energy, and sensors. As such, measurements of the thermal conductivity of these 2D materials become important to measure. Thermal conductivity is often difficult to measure for 2D materials due to their atomically thin nature and many experimental methods for doing so requiring contact with the sample, which can alter the thermal properties. A non-contact method for calculating the thermal conductivity of 2D materials supported on substrates in order to model the thermal conductivity of 2D materials for devices, is proposed and experimentally performed in this dissertation. The optothermal Raman technique is a useful non-contact diagnostic technique useful in determining the thermal conductivity of 2D materials. The optothermal Raman typically does not account for heat losses due to convection or radiation or substrate resistance, which are shown to be important factors to consider when developing an optothermal Raman model. Additionally, the calculation of the interfacial thermal conductance between the bottom surface of the sample and the top surface of the substrate, plays an important role in determining the final value of the thermal conductivity of a supported sample, and will yield differing results based on whether or not the conductance is calculated using an approach such as the Diffuse Mismatch Model (DMM) or calculated directly by varying the laser heating profile (usually done by changing the laser objective). This is shown to be the case for both graphene on Ni, graphene on Cu, and SnSe 2 on Cu. In addition to experimentally calculating the thermal conductivity of a 2D material with the optothermal Raman technique, the thermal conductivity of 2D materials can also be calculated using computational methods. The three-phonon method is a method which can be used to simulate phonon scattering processes and determine the thermal conductivity of semiconductors, wherein phonon scattering is the dominant mechanism which determines the thermal conductivity. The three-phonon method uses relaxation times for phonon scattering with other phonons, electrons, and other material system elements, such as isotopes or material defects, in order to create a single-mode relaxation time approximation (SMRTA), which is used to calculate the final value of the thermal conductivity. An important consideration when determining the thermal conductivity of a 2D material using this method is the device geometry, which is reflected in this work as the phonon-boundary scattering relaxation time. This inclusion is important along with the inclusion of phonon-electron scattering in accurately determining the thermal conductivity of a 2D material. In both the optothermal Raman experiments and the three-phonon method computations, strain is shown to have a demonstrable effect on the thermal conductivity of 2D materials. When a 1.1% strain was applied to the mechanical properties of SnSe, the three-phonon processes yielded a lower thermal conductivity than the no-strain case. For the optothermal Raman experiments, the strain induced in the Cu substrate and transferred to a single-layer graphene (SLG) sample yields a trend where the thermal conductivity of the SLG decreases with respect to strain applied. In the case where the interfacial thermal conductance was calculated directly, the conductance increased with respect to strain applied. This presents strain as a reliable and viable method for tuning the thermal properties of 2D materials for device applications.

36 MATERIALS SCIENCE↗