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NASA NTRS2001

Numerical Simulation of One- and Two-Phase Flows in Propulsion Systems

In this report, we present some results of problems investigated during joint research between the Hampton University Fluid Mechanics and Acoustics Laboratory (HU/FM&AL), NASA GRC, and the LaRC Hyper-X Program. This work is supported by joint research between the NASA GRC and the Institute of Mechanics at Moscow State University (IM/MSU) in Russia under a CRDF grant. The main areas of current scientific interest of the HU/FM&AL include an investigation of the proposed and patented advanced methods for aircraft engine thrust and noise benefits. These methods are based on nontraditional 3D corrugated and composite nozzle, inlet, propeller and screw designs such as a Bluebell and Telescope nozzle, Mobius-shaped screw, etc. This is the main subject of our other projects, of which one is presented at the current conference. Here we analyze additional methods for exhaust jet noise reduction without essential thrust loss and even with thrust augmentation. Such additional approaches are: (1) to add some solid, fluid, or gas mass at discrete locations to the main supersonic gas stream to minimize the negative influence of strong shock waves formed in propulsion systems. This mass addition may be accompanied by heat addition to the main stream as a result of the fuel combustion or by cooling of this stream as a result of the liquid mass evaporation and boiling; (2) Use of porous or permeable nozzles and additional shells at the nozzle exit for preliminary cooling of the hot jet exhaust and pressure compensation for off-design conditions (so-called continuous ejector with small mass flow rate); and (3) to propose and analyze new effective methods of fuel injection into the flow stream in air-breathing engines. The research is focused on a wide regime of problems in the propulsion field as well as in experimental testing and theoretical and numerical simulation analyses for advanced aircraft and rocket engines. The FM&AL Team uses analytical methods, numerical simulations, and experimental tests at the Hampton University campus, NASA, and IM/MSU. The main outcomes during this reporting period are: (1) Publications: The AIAA Paper #01-1893 has been accepted for the AIAA/NAL-NASDA-ISAS 10th International Space Planes and Hypersonic Systems and Technologies Conference, 24-27 April 2001, Kyoto, Japan. The AIAA Paper #01-3204 has been accepted for presentation at the 37th AIAA/ASME/SAE/ASEE Joint Propulsion Conference being held on 08-11 July, in Salt Lake City, UT; (2) Grants and proposals: The HU/FM&AL was awarded the NASA grant NAG3-2495 in October 2000 and the CRDF award was granted to the NASA GRC-HU FM&AL and IM/MSU (Russia) in July 2000. A solicited proposal was submitted for the NASA NRA-01GRC-02 competition and two unsolicited proposals to NASA are in preparation; (3) Theory and numerical simulations: Analytical theory, numerical simulation, comparison of theoretical with experimental results, and modification of theoretical approaches, models, grids, etc. Such investigations have been conducted for three main problems: (a) Combustion efficiency optimization in the half-duct combustor system; (b) Drag reduction effects for blunt bodies with solid needles; and (c) Solid particle injection from the butt-end against a supersonic flow. The NASA CFL3D, HU/FM&AL, and IM/MSU GODUNOV codes were used and modified for solution of these problems. The codes are based on full Euler and Navier-Stokes solvers with and without nonequilibrium oxygen-nitrogen and air-hydrogen chemical reactions in laminar and turbulent gas flow regimes; (4) Experimental tests: In the IM/MSU supersonic wind tunnel, experimental tests were conducted with different number, location, and geometric parameters of solid needles mounted at the front of the butt-end in supersonic flow. Optimal parameters were determined that provide minimal butt-end drag in the stationary flow regime. Experimental and numerical simulation results are in good agreement; (5) Student Research Activity: Involvement of one graduate and two undergraduate students as research assistants in the current project.

Gilinsky, Mikhail↗

NASA NTRSDate not supplied

Impact Forces From Artificial and Real Birds on a Large Diameter Hopkinson Bar

Forces were measured from normal impacts with two different artificial bird recipes and two species of real birds on a very rigid flat surface. The tests were conducted by launching the soft body projectiles axially into a Hopkinson bar in accordance with the SAE AS6940 test standard at three different nominal impact conditions: (a) a 1 kg projectile at an impact velocity of 49 m/sec; (b) a 1.8 kg projectile at an impact velocity of 110 m/sec; and (c) a 1.8 kg projectile at an impact velocity of 310 m/sec. At each condition two artificial birds and one real bird projectile were tested with at least three test repeats. Simulations were conducted to assess the effects of projectile orientation and velocity on predicted forces. The Hopkinson bar consisted of an Aluminum 6061 solid cylindrical bar with a diameter of 305 mm and a length of 7.31 m, made up of two 3.66 m long sections that were in axial contact with each other. The bar was instrumented for strain measurement at two locations, 457.2 mm and 609.6 mm (1.5 and 2 diameters) from the impacted face. Forces were calculated from the measured strain. In addition, digital image correlation (DIC) was used to measure the velocity of the free end of the bar. The real bird projectiles were 1 kg Mallard ducks and 1.8 kg Golden Comet chickens that were prepared per ASTM F330-21. Prior to testing, the real birds were placed in muslin bags to minimize tumbling during flight. Two artificial bird formulations were tested, one produced by the University of Dayton Research Institute (UDRI) and the other by the German Aerospace Center, DLR. The UDRI projectile was a homogeneous, relatively soft solid, formulated with a mixture of water, gelatin and phenolic micro-balloons to achieve a nominal density of 0.95 g/cc. The DLR projectile consisted of a printed plastic shell with internal plastic ribs and filled with a gel material. The projectiles were designed such that the overall average density was the desired value of 0.95 g/cc. Initial testing showed that contact between the two Hopkinson bar segments was not sufficient to allow full transmission of the waves through the interface. For the 49 m/sec and 110 m/sec tests this resulted in reflections returning to the strain measurement site prior to the end of the impact. For these tests only a portion of the force pulse could be accurately measured. For the highest velocity tests at 310 m/sec the force pulse was complete by the time reflected waves interfered with the response. Despite this limitation, useful force data were obtained for all velocities. Impact forces were very sensitive to the impact orientation and velocity. The force history generally consisted of an initial region with varying amplitude followed by a relatively constant amplitude response. The steady state region was similar among all projectiles and similar to what would be predicted for an inviscid fluid with a density of 0.95 g/cc. The initial part of the force response exhibited varying degrees of test-to-test repeatability associated with each projectile type. Forces calculated from DIC velocity measurements of the free end of the bar compared favorably those from the strain measurements. In general, the artificial projectile impact forces were quite repeatable from test to test, with some exceptions which could be explained by issues associated with either the projectile itself or with how the projectile exited the gun barrel. For all impact velocities the initial portion of the impact force from the bird projectiles exhibited large test-to-test variability. In this paper, impact forces for three types of projectiles at three impact velocities will be presented with an emphasis on the test-to-test repeatability of the results. Based on test and simulation results a proposed method for normalizing the impact force to minimize effects of differences in projectile orientation, impact velocity and density will also be discussed.

Bird strike↗

DOE OSTI2023

Structural study of hcp and liquid iron under shock compression up to 275 GPa

Here we combine nanosecond laser shock compression with in situ picosecond x-ray diffraction to provide structural data on iron up to 275 GPa. We constrain the extent of hcp-liquid coexistence, the onset of total melt, and the structure within the liquid phase. Our results indicate that iron, under shock compression, melts completely by 258(8) GPa. A coordination number analysis indicates that iron is a simple liquid at these pressure-temperature conditions. We also perform texture analysis between the ambient body-centered-cubic (bcc) α, and the hexagonal-closed-packed (hcp) high-pressure ε-phase. We rule out the Rong-Dunlop orientation relationship (OR) between the α and ε - phase s. However, we cannot distinguish between three other closely related ORs: Burger's, Mao-Bassett-Takahashi, and Potter's OR. The solid-liquid coexistence region is constrained from a melt onset pressure of 225(3) GPa from previously published sound speed measurements and full melt [246.5(1.8)–258(8) GPa] from x-ray diffraction measurements, with an associated maximum latent heat of melting of 623 J/g. This value is lower than recently reported theoretical estimates and suggests that the contribution to the earth's geodynamo energy budget from heat release due to freezing of the inner core is smaller than previously thought. Melt pressures for these nanosecond shock experiments are consistent with gas gun shock experiments that last for microseconds, indicating that the melt transition occurs rapidly.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2026

Multibody for Everybody (M4E): A Symbolic Dynamics Modeling Tool with Applications in Simulation, Control, and Optimization

Developing the analytical model of a multibody system is often the initial step in control and optimization. The analytical model (equations of motion) describes a system’s time evolution under specified forcing conditions. Although developing these equations is easy for simple systems, this process becomes more complex for systems composed of multiple bodies. Deriving equations of motion for complex multibody systems requires specialized expertise in multibody dynamics, is time-consuming, and is susceptible to error. To address this issue, this paper presents an open-source, easy-to-use, systematic framework to derive symbolic equations of motion in both Python and MATLAB using the joint coordinate formulation. This formulation results in a set of ordinary differential equations that use the minimum set of coordinates needed to model a system. The symbolic representation provides better insight into the influence of design parameters on system performance, facilitates sensitivity analysis and parameter studies, and supports direct implementation of control and optimization routines. The tool enables numerical simulation for specified parameter sets, is modular for straightforward integration with other tools and libraries, and allows incorporation of hydrodynamics, mooring, and other external forces. The result is a reproducible, extensible pipeline for modeling, simulation, and design of complex multibody systems. The proposed tool is versatile and can be applied to domains such as robotics, control, and design. In addition, we integrated external libraries that provide capabilities for modeling offshore systems such as underwater robots and marine energy converters.

16 TIDAL AND WAVE POWER↗

DOE OSTI2026

Is the Matrix Completion of Reduced Density Matrices Unique?

Reduced density matrices are central to describing observables in many-body quantum systems. In electronic structure theory, the two-particle reduced density matrix (2-RDM) suffices to determine the energy and other key properties. Recent work has used matrix completion, leveraging the low-rank structure of RDMs and approximate theoretical models, to reconstruct the 2-RDM from partial data and thus reduce the computational cost. However, matrix completion is, in general, an under-determined problem. Revisiting Rosina’s theorem (Rosina, M. Queen’s Papers on Pure and Applied Mathematics , 1968, No. 11, 369), we here show that the matrix completion is unique under certain conditions, identifying the subset of 2-RDM elements that enables its exact reconstruction from incomplete information. Building on this, we introduce a hybrid quantum–stochastic algorithm that achieves exact matrix completion, demonstrated through applications to the Fermi–Hubbard model.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1999

3-D Surface Depression Profiling Using High Frequency Focused Air-Coupled Ultrasonic Pulses

Surface topography is an important variable in the performance of many industrial components and is normally measured with diamond-tip profilometry over a small area or using optical scattering methods for larger area measurement. This article shows quantitative surface topography profiles as obtained using only high-frequency focused air-coupled ultrasonic pulses. The profiles were obtained using a profiling system developed by NASA Glenn Research Center and Sonix, Inc (via a formal cooperative agreement). (The air transducers are available as off-the-shelf items from several companies.) The method is simple and reproducible because it relies mainly on knowledge and constancy of the sound velocity through the air. The air transducer is scanned across the surface and sends pulses to the sample surface where they are reflected back from the surface along the same path as the incident wave. Time-of-flight images of the sample surface are acquired and converted to depth/surface profile images using the simple relation (d = V*t/2) between distance (d), time-of-flight (t), and the velocity of sound in air (V). The system has the ability to resolve surface depression variations as small as 25 microns, is useable over a 1.4 mm vertical depth range, and can profile large areas only limited by the scan limits of the particular ultrasonic system. (Best-case depth resolution is 0.25 microns which may be achievable with improved isolation from vibration and air currents.) The method using an optimized configuration is reasonably rapid and has all quantitative analysis facilities on-line including 2-D and 3-D visualization capability, extreme value filtering (for faulty data), and leveling capability. Air-coupled surface profilometry is applicable to plate-like and curved samples. In this article, results are shown for several proof-of-concept samples, plastic samples burned in microgravity on the STS-54 space shuttle mission, and a partially-coated cylindrical ceramic composite sample. Impressive results were obtained for all samples when compared with diamond-tip profiles and measurements from micrometers. The method is completely nondestructive, noninvasive, non-contact and does not require light-reflective surfaces.

Roth, Don J.↗

DOE OSTI2023

Gauge constrained algorithm of variational discrete action theory at N = 3 for the multiorbital Hubbard model

The recently developed variational discrete action theory (VDAT) provides a systematic variational approach to the ground state of the quantum many-body problem, where the quality of the solution is controlled by an integer N, and increasing N monotonically approaches the exact solution. VDAT can be exactly evaluated in the d = ∞ multiorbital Hubbard model using the self-consistent canonical discrete action theory (SCDA), which requires a self-consistency condition for the integer time Green's functions. Previous work demonstrates that N = 3 accurately captures multiorbital Mott/Hund physics at a cost similar to the Gutzwiller approximation. Here we employ a gauge constraint to automatically satisfy the self-consistency condition of the SCDA at N = 3, yielding an even more efficient algorithm with enhanced numerical stability. We derive closed form expressions of the gauge constrained algorithm for the multiorbital Hubbard model with general density-density interactions, allowing VDAT at N = 3 to be straightforwardly applied to the seven-orbital Hubbard model. We present results and a performance analysis using N = 2 and N = 3 for the SU⁡(2⁢N orb ) Hubbard model in d = ∞ with N orb = 2–8, and compare to numerically exact dynamical mean-field theory solutions where available. Finally, the developments in this work will greatly facilitate the application of VDAT at N = 3 to strongly correlated electron materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2022

What’s in My Toolkit? A Review of Technologies for Assessing Changes in Habitats Caused by Marine Energy Development

Marine energy devices are installed in highly dynamic environments and have the potential to affect the benthic and pelagic habitats around them. Regulatory bodies often require baseline characterization and/or post-installation monitoring to determine whether changes in these habitats are being observed. However, a great diversity of technologies is available for surveying and sampling marine habitats, and selecting the most suitable instrument to identify and measure changes in habitats at marine energy sites can become a daunting task. We conducted a thorough review of journal articles, survey reports, and grey literature to extract information about the technologies used, the data collection and processing methods, and the performance and effectiveness of these instruments. We examined documents related to marine energy development, offshore wind farms, oil and gas offshore sites, and other marine industries around the world over the last 20 years. A total of 120 different technologies were identified across six main habitat categories: seafloor, sediment, infauna, epifauna, pelagic, and biofouling. The technologies were organized into 12 broad technology classes: acoustic, corer, dredge, grab, hook and line, net and trawl, plate, remote sensing, scrape samples, trap, visual, and others. Visual was the most common and the most diverse technology class, with applications across all six habitat categories. Technologies and sampling methods that are designed for working efficiently in energetic environments have greater success at marine energy sites. In addition, sampling designs and statistical analyses should be carefully thought through to identify differences in faunal assemblages and spatiotemporal changes in habitats.

16 TIDAL AND WAVE POWER↗

NASA NTRS1993

Neurophysiological study on visuo-vestibular control of posture and movement in fish during adaptation to weightlessness

We can stand upright and walk smoothly without paying any particular attention to it. This is because we have established in ourselves an integration center that controls our body subconsciously in response to input from eyes, muscles, joints, foot soles, and also from the gravity sensor in the inner ear (the otolith organ). It has been shown that the cerebellum plays an important role for the establishment of the integration center and that the control pattern is comparable to that of a highly sophisticated computer system. The programming for the control, however, may well be acquired for the 1-g ground condition and does not cover the 0-g in space. Although each of the above organs function as it does on the ground, the signal pattern sent to the center must be different under 0-g and, in addition, complementary signals from the otolith organ are missing, leading to confusion in the integration center and causing a variety of symptoms similar to those of car-sickness or sea-sickness. After exposure to microgravity an immediate process of re-programming will begin and be completed in 2-4 days. There is strong supporting evidence for this sensory conflict theory as an explanation for space motion sickness (SMS) episodes. Fish were selected as test organisms for this investigation because they swim around freely in three dimensions and have well-developed organs for vision and gravity detection. They also have an innate nature to orient their back toward a light source. Actually, on the ground, the fish tilts its vertical axis toward the light when illuminated laterally, and the tilt angle is a function of the intensity of light and the magnitude of gravity, while its posture is completely light-dependent in the low-gravity environment produced by aircraft parabolic flight or when the otolith organs are removed. This implies that fish posture is entirely under visual and otolithic control. In this case, the cerebellum will also contribute to the control. In the space shuttle experiment, two fish (one with otolith-removed and the other with intact otoliths) are onboard for 7 days. The arrangement of the experiment is shown. Lamps illuminate each fish alternately from different directions at a duration of 20 seconds for 10 minutes totally, twice a day. The video images and the brain waves from the cerebellum are analyzed later. If the sensory conflict theory is acceptable, then the confusion at the onset and the following recovery process will be manifested both in the light-dependent behavior and also in the cerebellar activity. In addition, there should be some variation in response between the two fish. Even if the results are positive in the present fish experiment, they would not be extensive enough to allow us to understand the complete mechanisms of SMS. However, what is currently needed is a collection of evidence based on animal experiments on which to base future investigations. Countermeasures for SMS are mandatory since SMS-induced vomiting occurring within a space suit could be fatal for a crew member during extravehicular activities. We expect that countermeasures will be developed before the space station era starts, and that the results of these studies will be applied to improving human welfare.

Mori, Shigeo↗

NASA NTRSDate not supplied

Shock-Wave/Boundary-Layer Interaction (SWBLI) Experiments in the Presence of Transition-to-Turbulence on a Flat Plate Model in the NASA LaRC 31-Inch Mach 10 Air Tunnel

Historically, there have been a limited number of studies involving Transitional Shock-Wave/Boundary-Layer Interactions (XSWBLI) in hypersonic flows, the majority of which have been performed at Mach Numbers of 7.5 and below. Additionally, there have been even fewer such experiments which incorporate non-intrusive and optical diagnostics. NASA Langley Research Center (NASA LaRC), in collaboration with The University of Texas at San Antonio (UTSA) and The University of Tennessee Space Institute (UTSI), is currently planning and preparing for a series of experimental aerodynamic tests using the NASA LaRC 31-inch Mach 10 Air Tunnel. The experiments will primarily focus on studying the dynamics of Shock-Wave/Boundary-Layer Interactions (SWBLI) in the presence of transition (XSWBLI) and turbulence (SWTBLI) on a large, flat plate model at a freestream Mach number of 10. Besides continued interest in understanding the flow at high Mach numbers, executing such tests at Mach 10 avoids some known concerns and will aid in solving new problems. XSWBLI are a highly unsteady phenomena and the generation of XSWBLI at lower Mach numbers can prove to be a significant challenge. This concern will be somewhat mitigated in the Mach 10 flow, as boundary layers become increasingly stabilized, but some difficulty in achieving transition is still expected. Modelling SWBLI in the presence of transitional and turbulent boundary layers has also proven to be difficult, so a high-Mach number experiment which applies non-intrusive and optical diagnostics will aid in solving a unique problem as well as advancing the understanding and characterization of an aerodynamic surface at Mach 10.The NASA LaRC 31-inch Wind Tunnel incorporates a test section having a cross-section of 31-inches × 31-inches and provides optical access to the test section via three (3) ultra-violet (UV) transmitting windows on the top, side, and bottom. The Mach 10 operating conditions will consist of pressures (P0) ranging from 2.4 to 10MPa (348 to 1,450 psi) at a temperature (T0) of 1,000 K (1,800 °R). The NASA LaRC 31-inch wind tunnel will deliver 1-minute blow-down runs, of which 30-45 seconds will be consumed to reach the aforementioned test conditions. The pump down time between runs will be approximately 45-60 minutes, which will provide for 6-10 test runs per day over the course of a weeklong entry. The proposed flat plate model will be constructed of stainless steel with geometry consisting of a10-inch × 30-inch upper surface and a 2-inch thickness. The model will be designed to support multiple leading-edge inserts in order to examine blunt, round, and sharp leading edges at Mach 10. Adjustments will be made to manage boundary layer thickness as well as the strength and size of the shock interaction region for each test. Measurements and diagnostics will be performed though high-speed Schlieren, on-body high-speed pressure transducers, IR thermography, and oil flow visualization. Hypersonic vehicle applications have and will continue to emerge at the forefront of aerospace. The NASA-UTSA-UTSI team realizes the value of characterizing SWBLI, XSWBLI, and SWTBLI behaviors well beyond single-digit hypersonic Mach numbers. As hypersonic vehicle speed capabilities continue to increase, measurement and diagnostic methods for Mach numbers of 10 and beyond will provide the foundation for a firm understanding of flow field behavior which will directly influence the advancement of technologies towards the design and manufacturing of high-speed aerodynamic surfaces, controls, thermal protection systems, acoustic treatments, and structural components. The use of non-intrusive and optical diagnostic methods in such experimentation is pivotal in developing the visualization and empirical data necessary to advance the aforementioned technology areas.

Shockwave/Boundary-Layer Interactions↗

NASA NTRS1994

The Large Impact Process Inferred from the Geology of Lunar Multiring Basins

The study of the geology of multiring impact basins on the Moon over the past ten years has given us a rudimentary understanding of how these large structures have formed and evolved on the Moon and other bodies. Two-ring basins on the Moon begin to form at diameters of about 300 km; the transition diameter at which more than two rings appear is uncertain, but it appears to be between 400 and 500 km in diameter. Inner rings tend to be made up of clusters or aligned segments of massifs and are arranged into a crudely concentric pattern; scarp-like elements may or may not be present. Outer rings are much more scarp-like and massifs are rare to absent. Basins display textured deposits, interpreted as ejecta, extending roughly an apparent basin radius exterior to the main topographic rim. Ejecta may have various morphologies, ranging from wormy and hummocky deposits to knobby surfaces; the causes of these variations are not known, but may be related to the energy regime in which the ejecta are deposited. Outside the limits of the textured ejecta are found both fields of satellitic craters (secondaries) and light plains deposits. Impact melt sheets are observed on the floors of relatively unflooded basins. Samples of impact melts from lunar basins have basaltic major-element chemistry, characterized by K, rare-earth elements (REE), P, and other trace elements of varying concentration (KREEP); ages are between 3.8 and 3.9 Ga. These lithologies cannot be produced through the fusion of known pristine (plutonic) rock types, suggesting the occurrence of unknown lithologies within the Moon. These melts were probably generated at middle to lower crustal levels. Ejecta compositions, preservation of pre-basin topography, and deposit morphologies all indicate that the excavation cavity of multiring basins is between about 0.4 and 0.6 times the diameter of the apparent crater diameter. Basin depths of excavation can be inferred from the composition of basin ejecta. A variety of mechanisms has been proposed to account for the formation of basin rings but none of them are entirely plausible. Mechanisms can be divided into two broad groups: (1) forcible uplift due to fluidization of the target; (2) concentric, brittle, fracturing and failure of the target, on regional (megaterraces) to global scales (lithospheric fracturing). Most basin rings are spaced at a constant factor on all planets. Evidence supports divergent ringforming models, so it may be that the ring-locating mechanism differs from the ring-forming mechanism. Thus, large-scale crustal foundering (megaterracing) could occur along concentric zones of weakness created by some type of resonant wave mechanism (fluidization and uplift); such immediate crustal adjustment could then be followed by long-term adjustment of the fractured lithosphere.

Spudis, Paul D.↗

DOE OSTI2021

High-pressure phase diagram of beryllium from ab initio free-energy calculations

In this report we use first-principles molecular dynamics simulations coupled with the thermodynamic integration method to study the hexagonal close-packed (hcp) to body-centered cubic (bcc) transition and melting of beryllium up to a pressure of 1600 GPa. We derive the melting line by equating solid and liquid Gibbs free energies and represent it by a Simon-Glatzel fit T m = 1564 K [1 + P/(15.6032 GPa)] 0.383 , which is in good agreement with previous two-phase simulations <6000 K. We also derive the hcp-bcc solid-solid phase boundary and show that the quasiharmonic approximation underestimates the stability of the hcp structure, predicting lower transition pressures between hcp and bcc phases. Our results are consistent with the stability regime predicted by the phonon quasiparticle method. We also predict that the hcp-bcc-liquid triple point is located at 164.7 GPa and 4314 K. In addition, we compute the shock Hugoniot curve and show that it is in good agreement with experiments, intersecting our derived melting curve at ~235 GPa and 4900 K. Finally, we make predictions for future ramp compression experiments. Starting with an isentropic compression of the liquid, we predict the path to intersect the melting line at low pressure and temperature, then to continue along the melting line over a large temperature interval of 7000 K as the sample remains in the mixed solid-liquid state before it enters the solid phase.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Accurate localization of Kosterlitz-Thouless-type quantum phase transitions for one-dimensional spinless fermions

We investigate the charge-density wave (CDW) transition for one-dimensional spinless fermions at half band filling with nearest-neighbor electron transfer amplitude t and interaction V. The model is equivalent to the anisotropic XXZ Heisenberg model for which the Bethe Ansatz provides an exact solution. For V>V c =2t, the CDW order parameter and the single-particle gap are finite but exponentially small, as is characteristic for a Kosterlitz-Thouless transition. It is notoriously difficult to locate such infinite-order phase transitions in the phase diagram using approximate analytical and numerical approaches. Second-order Hartree-Fock theory is qualitatively applicable for all interaction strengths, and predicts the CDW transition to occur at V$^{(2)}_{c,2}$≈1.5t. Second-order Hartree Fock theory is almost variational because the density of quasiparticle excitations is small. We apply the density-matrix renormalization group (DMRG) for periodic boundary conditions for system sizes up to 514 sites, which permits a reliable extrapolation of all physical quantities to the thermodynamic limit, apart from the critical region. We investigate the ground-state energy, the gap, the order parameter, the momentum distribution, the quasiparticle density, and the density-density correlation function to locate V c from the DMRG data. In conclusion, tracing the breakdown of the Luttinger liquid and the peak in the quasiparticle density at the band edge permits us to reproduce V c with an accuracy of one percent.

1-dimensional spin chains↗

DOE OSTI2022

Probing for high-momentum protons in He 4 via the He 4 ( e , e ' p ) X reactions

Experimental cross sections for the $^4He(e,e'p)X$ reaction up to a missing momentum of 0.632 GeV/$c$ at $x_B=1.24$ and $Q^2$=2(GeV/$c$)$^2$ are reported. The data are compared to Relativistic Distorted Wave Impulse Approximation(RDWIA) calculations for $^4He(e,e'p)^3H$ channel. Significantly more events in the triton mass region are measured for $p_{m}$$>$0.45 GeV/$c$ than are predicted by the theoretical model, suggesting that the effects of initial-state multi-nucleon correlations are stronger than expected by the RDWIA model.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Interaction-enhanced nesting in spin-fermion and Fermi-Hubbard models

The spin-fermion (SF) model postulates that the dominant coupling between low-energy fermions in near critical metals is mediated by collective spin fluctuations (paramagnons) peaked at the Néel wave vector, Q N , connecting hot spots on opposite sides of the Fermi surface. It has been argued that strong correlations at hot spots lead to a Fermi surface deformation (FSD) featuring flat regions and increased nesting. This conjecture was confirmed in the perturbative self-consistent calculations when the paramagnon propagator dependence on momentum deviation from Q N is given by χ − 1 ∝ | Δ q | . Using diagrammatic Monte Carlo (diagMC) technique we show that such a dependence holds only at temperatures orders of magnitude smaller than any other energy scale in the problem, indicating that a different mechanism may be at play. Instead, we find that a χ − 1 ∝ | Δ q | 2 dependence yields a robust finite- T scenario for achieving FSD. To link phenomenological and microscopic descriptions, we applied the connected determinant diagMC method to the ( t − t ′ ) Hubbard model and found that at large U / t > 5.5 before the formation of electron and hole pockets (i) the FSD defined as a maximum of the spectral function is not very pronounced; instead, it is the lines of zeros of the renormalized dispersion relation that deforms toward nesting, and (ii) the static spin susceptibility is well described by χ − 1 ∝ | Δ q | 2 . Flat FS regions yield a nontrivial scenario for realizing a non-Fermi liquid state. Published by the American Physical Society 2024

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2026

Vanishing dynamic strength measured in a transient high-pressure phase of tin

This work reports two independent experimental estimations of the dynamic strength of the body-centered tetragonal (bct) 𝛾 phase of tin, which occurs at pressures above about 9 GPa and transforms promptly back to the ambient 𝛽 phase upon pressure release. Measuring strength in such a transient high-pressure phase is challenging. One measurement used free-surface Richtmyer-Meshkov instabilities generated with gas gun impact. Another set of measurements used ramp-release loading in a pulsed-power facility. Strength estimations came from comparison to simulations using a comprehensive multiphase modeling framework that includes equation of state, shear moduli, and strength separately for each phase, and treats mixed-phase regions. Both experimental methods found the 𝛾-phase strength to be very low, within experimental uncertainty of zero. The existing literature on other materials, by contrast, almost universally reports higher strength in transient high-pressure phases compared with ambient phases. Recent Molecular-Dynamics simulations on tin in the literature showed almost zero deviatoric strength during a deformation-induced bct → bct transformation in which one of the 𝛾-phase 𝑎 axes “flips” to the 𝑐 axis. This reorientation currently provides the most plausible explanation for the low observed strength in 𝛾-phase tin.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Triton Field Trials - Changes in Habitats, a Literature Review of Monitoring Technologies

Marine energy devices are installed in highly dynamic environments and have the potential to affect benthic and pelagic habitats around them. Regulatory bodies often require baseline characterization and/or post-installation monitoring to determine whether changes in these habitats are being observed. However, a great diversity of technologies is available for surveying and sampling marine habitats. Selecting the most suitable instrument to identify and measure changes in habitats at marine energy sites can become a daunting task. We conducted a thorough review of journal articles, survey reports, and grey literature to extract information about the technologies used, the data collection and processing methods, and the performance and effectiveness of these instruments. We examined documents related to marine energy development, offshore wind farms, oil and gas offshore sites, and other marine industries around the world over the last 20 years, as well as national and international guidelines for surveying habitats around offshore activities. A total of 120 different technologies were identified across six main habitat categories: seafloor, sediment, infauna, epifauna, pelagic, and biofouling. The technologies were organized into 12 broad technology classes: acoustic, corer, dredge, grab, hook and line, net and trawl, plate, remote sensing, scrape samples, trap, visual, and others. Visual was the most common and the most diverse technology class, with applications across all six habitat categories. Sampling designs varied considerably among the reviewed studies but transect was the predominant design for surveying seafloor, epifauna, and pelagic habitats. The most common data analyses were univariate and multivariate statistical analyses aimed at calculating and comparing biodiversity indices, characterizing faunal assemblages or sediment classes, or modeling the distribution of animals related to abiotic parameters. Technologies and sampling methods adaptable and designed to work efficiently in energetic environments have greater success at marine energy sites. In addition, sampling designs and statistical analyses should be carefully thought through to identify differences in faunal assemblages and spatiotemporal changes in habitats.

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