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NASA NTRS1995

Analysis of the two-point velocity correlations in turbulent boundary layer flows

The general objective of the present work is to explore the use of Rapid Distortion Theory (RDT) in analysis of the two-point statistics of the log-layer. RDT is applicable only to unsteady flows where the non-linear turbulence-turbulence interaction can be neglected in comparison to linear turbulence-mean interactions. Here we propose to use RDT to examine the structure of the large energy-containing scales and their interaction with the mean flow in the log-region. The contents of the work are twofold: First, two-point analysis methods will be used to derive the law-of-the-wall for the special case of zero mean pressure gradient. The basic assumptions needed are one-dimensionality in the mean flow and homogeneity of the fluctuations. It will be shown that a formal solution of the two-point correlation equation can be obtained as a power series in the von Karman constant, known to be on the order of 0.4. In the second part, a detailed analysis of the two-point correlation function in the log-layer will be given. The fundamental set of equations and a functional relation for the two-point correlation function will be derived. An asymptotic expansion procedure will be used in the log-layer to match Kolmogorov's universal range and the one-point correlations to the inviscid outer region valid for large correlation distances.

Oberlack, M.↗

NASA NTRS1967

Design of Liquid Propellant Rocket Engines Second Edition

This book intends to build a bridge for the student and the young engineer: to link the rocket propulsion fundamentals and elements (which are well covered in the literature) with the actual rocket engine design and development work as it is carried out in industry (which is very little, if at all covered in literature). The book attempts to further the understanding of the realistic application of liquid rocket propulsion theories, and to help avoid or at least reduce time and money consuming errors and disappointments. In so doing, it also attempts to digest and consolidate numerous closely related subjects, hitherto often treated as separate, bringing them up to date at the same time. The book was written "on the job" for use by those active in all phases of engine systems design, development, and application, in industry as well as government agencies. Since it addresses itself to human beings set out to create new machines, rather than describing machines about to dominate man, the language chosen may not always be "functional" in the strict sense of the word. The book presents sufficient detail to familiarize and educate thoroughly those responsible for various aspects of liquid propellant rocketry, including engine systems design, engine development, and flight vehicle application. It should enable the rocket engineer to conduct, independently, complete or partial engine systems preliminary detail designs and to understand and judge the activities in, and the problems, limitations, and "facts of life~ of the various subsystems making up a complete engine system. It also attempts to educate those ultimately interested in specialized subsystems and component design (thrust chamber, turbopump, control valves, etc.) about their own as well as neighboring subsystems and about the complete engine system. This should enable the student to prepare realistic analytical calculations and design layouts with a long headstart toward the final specialized designs for subsystem production release. Special emphasis has been placed on engine flight application to stimulate engine systems and subsystem designers to think in these terms from the outset. The book is intended as a textbook, with specific consideration of the teacher without industry experience. We hope it will stimulate those desiring to specialize in the area of a rocket engine subsystem by supplying adequate information to enable them to benefit fully from the specialized literature. Thus, it provides a realistic expert introduction for those joining the liquid propellant rocket engine field.

Dieter K Huzel↗

NASA NTRS1991

High temperature performance evaluation of a hypersonic engine ceramic wafer seal

Leakage rates of an innovative hypersonic engine seal were measured using a specially developed static high temperature seal test fixture at NASA Lewis Research Center. The three foot long structural panel-edge seal is designed to minimize leakage of high temperature, high pressure gases past the movable panels of advanced ramjet/scramjet engines. The seal is made of a stack of precision machined ceramic wafer pieces that are inserted into a closely conforming seal channel in the movable engine panel. The wafer seal accommodates the significant distortions in the adjacent engine walls through relative sliding between adjacent wafers. Seal leakage rates are presented for engine simulated air temperatures up to 1350 F and for engine pressures up to 100 psi. Leakage rates are also presented for the seal, sealing both a flat wall condition, and an engine simulated distorted wall condition in which the distortion was 0.15 in. in only an 18 in. span. Seal leakage rates were low, meeting an industry-established tentative leakage limit for all combinations of temperature, pressure, and wall conditions considered. Comparisons are made between the measured leakage rates and leakage rates predicted using a seal leakage model developed from externally-pressurized gas film bearing theory.

Steinetz, Bruce M.↗

NASA NTRS2002

Version 2 Goddard Satellite-Based Surface Turbulent Fluxes (GSSTF2)

The global air-sea fluxes of momentum, latent and sensible heat, radiation, and freshwater (precipitation-evaporation) are required for driving Ocean models and validating coupled ocean- atmosphere global models. Wind stress is the major forcing for driving the oceanic circulation, while evaporation is a key component of hydrological cycle and surface heat budget. We have produced a 13.5-year (July 1987-December 2000) dataset containing daily, monthly, and climatological surface fluxes of momentum, latent and sensible heat over the global Oceans from the Special Sensor Microwave/Imager (SSM/I) radiance easurements. This dataset is called version 2 Goddard Satellite-based Surface Turbulent Fluxes (GSSTF-2). The GSSW-2 has a spatial resolution of 1.0deg x 1.0deg lat-long. In addition, evaporation has been combined with the satellite-retrieved precipitation to produce monthly freshwater fluxes over the global Ocean for the same period. Daily turbulent fluxes are derived from the S S M surface winds and surface air humidity, and 2-m air and sea surface temperatures (SST) of the NCEP/NCAR reanalysis, using an improved stability-dependent bulk flux algorithm based on the surface layer similarity theory. Hourly fluxes computed from the GSSTF-2 bulk flux algorithm using the observed hourly input variables validate well against those of ten experiments observed by the research ships over the tropical and midlatitude oceans. In addition, daily wind stresses, latent heat fluxes, wind speeds, surface air humidity and SSTs of the GSSTF-2 compare reasonably well with those of the collocated in situ measurements of the ten experiments. The global distributions of 1988-2000 annual- and seasonal-mean turbulent fluxes show reasonable patterns related to the atmospheric general circulation and its seasonal variations. The comparison of zonally-averaged wind stress and latent heat fluxes of the GSSTF-2 with those of other satellite products as well as the NCEPNCAR and ECMWF reanalyses for the annual mean and seasonal variations during 1992-93 will be discussed. .

Chou, Shu-Hsien↗

DOE OSTI2024

Massive twistor worldline in electromagnetic fields

We study the (ambi-)twistor model for spinning particles interacting via electromagnetic field, as a toy model for studying classical dynamics of gravitating bodies including effects of both spins to all orders. We compute the momentum kick and spin kick up to one-loop order and show precisely how they are encoded in the classical eikonal. The all-orders-in-spin effects are encoded as a dynamical implementation of the Newman-Janis shift, and we find that the expansion in both spins can be resummed to simple expressions in special kinematic configurations, at least up to one-loop order. We confirm that the classical eikonal can be understood as the generator of canonical transformations that map the in-states of a scattering process to the out-states. We also remark that cut contributions for converting worldline propagators from time-symmetric to retarded amount to the iterated action of the leading eikonal at one-loop order.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1999

Combustion of Interacting Droplet Arrays in a Microgravity Environment

Investigations into droplet interactions date back to Rex et al. Recently, Annamalai and Ryan and Annamalai published extensive reviews of droplet array and cloud combustion studies. The authors studied the change in the burning rate constant, k, (relative to that of the single droplet) that results from interactions. Under certain conditions, there exists a separation distance where the droplet lifetime reaches a minimum, or average burning rate constant is a maximum . Additionally, since inter-droplet separation distance, L, increases relative to the droplet size, D, as the burning proceeds, the burning rate is not constant throughout the burn, but changes continuously with time. Only Law and co-workers and Mikami et al. studied interactions under conditions where buoyant forces were negligible. Comparing their results with existing theory, Law and co-workers found that theory over predicted the persistency and intensity of droplet interactions. The droplet interactions also depended on the initial array configuration as well as the instantaneous array configuration. They also concluded that droplet heating was retarded due to interactions and that the burning process did not follow the "D-squared" law. Mikami et al. studied the combustion of a two-droplet array of heptane burning in air at one atm pressure in microgravity. They showed that the instantaneous burning rate constant increases throughout the droplet lifetime, even for a single droplet. Also, the burn time of the array reached a minimum at a critical inter-droplet spacing. In this article, we examine droplet interactions in normal and microgravity environments. The microgravity experiments were in the NASA GRC 2.2 and 5.2 second drop towers, and the JAMIC (Japan Microgravity Center) 10 second drop tower. Special emphasis is directed to combustion under conditions that yield finite extinction diameters, and to determine how droplet interactions affect the extinction process.

Dietrich, D. L.↗

NASA NTRS2017

Program Annual Technology Report: Physics of the Cosmos Program Office

From ancient times, humans have looked up at the night sky and wondered: Are we alone? How did the universe come to be? How does the universe work? PCOS focuses on that last question. Scientists investigating this broad theme use the universe as their laboratory, investigating its fundamental laws and properties. They test Einstein’s General Theory of Relativity to see if our current understanding of space-time is borne out by observations. They examine the behavior of the most extreme environments – supermassive black holes, active galactic nuclei, and others – and the farthest reaches of the universe, to expand our understanding. With instruments sensitive across the spectrum, from radio, through infrared (IR), visible light, ultraviolet (UV), to X rays and gamma rays, as well as gravitational waves (GWs), they peer across billions of light-years, observing echoes of events that occurred instants after the Big Bang. Last year, the LISA Pathfinder (LPF) mission exceeded expectations in proving the maturity of technologies needed for the Laser Interferometer Space Antenna (LISA) mission, and the Laser Interferometer Gravitational-Wave Observatory (LIGO) recorded the first direct measurements of long-theorized GWs. Another surprising recent discovery is that the universe is expanding at an ever-accelerating rate, the first hint of so-called “dark energy,” estimated to account for 75% of mass-energy in the universe. Dark matter, so called because we can only observe its effects on regular matter, is thought to account for another20%, leaving only 5% for regular matter and energy. Scientists now also search for special polarization in the cosmic microwave background to support the notion that in the split-second after the Big Bang, the universe inflated faster than the speed of light! The most exciting aspect of this grand enterprise today is the extraordinary rate at which we can harness technologies to enable these key discoveries.

COR↗

NASA NTRS1990

Artificial intelligence and design: Opportunities, research problems and directions

The issues of industrial productivity and economic competitiveness are of major significance in the U.S. at present. By advancing the science of design, and by creating a broad computer-based methodology for automating the design of artifacts and of industrial processes, we can attain dramatic improvements in productivity. It is our thesis that developments in computer science, especially in Artificial Intelligence (AI) and in related areas of advanced computing, provide us with a unique opportunity to push beyond the present level of computer aided automation technology and to attain substantial advances in the understanding and mechanization of design processes. To attain these goals, we need to build on top of the present state of AI, and to accelerate research and development in areas that are especially relevant to design problems of realistic complexity. We propose an approach to the special challenges in this area, which combines 'core work' in AI with the development of systems for handling significant design tasks. We discuss the general nature of design problems, the scientific issues involved in studying them with the help of AI approaches, and the methodological/technical issues that one must face in developing AI systems for handling advanced design tasks. Looking at basic work in AI from the perspective of design automation, we identify a number of research problems that need special attention. These include finding solution methods for handling multiple interacting goals, formation problems, problem decompositions, and redesign problems; choosing representations for design problems with emphasis on the concept of a design record; and developing approaches for the acquisition and structuring of domain knowledge with emphasis on finding useful approximations to domain theories. Progress in handling these research problems will have major impact both on our understanding of design processes and their automation, and also on several fundamental questions that are of intrinsic concern to AI. We present examples of current AI work on specific design tasks, and discuss new directions of research, both as extensions of current work and in the context of new design tasks where domain knowledge is either intractable or incomplete. The domains discussed include Digital Circuit Design, Mechanical Design of Rotational Transmissions, Design of Computer Architectures, Marine Design, Aircraft Design, and Design of Chemical Processes and Materials. Work in these domains is significant on technical grounds, and it is also important for economic and policy reasons.

Amarel, Saul↗

DOE OSTI2024

Weak Scale Supersymmetry Emergent from the String Landscape

Superstring flux compactifications can stabilize all moduli while leading to an enormous number of vacua solutions, each leading to different 4−d laws of physics. While the string landscape provides at present the only plausible explanation for the size of the cosmological constant, it may also predict the form of weak scale supersymmetry which is expected to emerge. Rather general arguments suggest a power-law draw to large soft terms, but these are subject to an anthropic selection of a not-too-large value for the weak scale. The combined selection allows one to compute relative probabilities for the emergence of supersymmetric models from the landscape. Models with weak scale naturalness appear most likely to emerge since they have the largest parameter space on the landscape. For finetuned models such as high-scale SUSY or split SUSY, the required weak scale finetuning shrinks their parameter space to tiny volumes, making them much less likely to appear compared to natural models. Probability distributions for sparticle and Higgs masses from natural models show a preference for Higgs mass mh∼125 GeV, with sparticles typically beyond the present LHC limits, in accord with data. From these considerations, we briefly describe how natural SUSY is expected to be revealed at future LHC upgrades. This article is a contribution to the Special Edition of the journal Entropy, honoring Paul Frampton on his 80th birthday.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Particle Production by Time-Varying Dark Energy and the End of Cosmic Expansion

We consider various possible consequences of time-varying dark energy due to a quintessence scalar field whose energy density is partially converted to particles as the field evolves down its potential. This particle production acts as a source of thermal friction on the field that can make it difficult to distinguish whether dark energy is due to a radiating field rolling down a steep potential, a purely self-interacting field moving down a flatter potential, or a cosmological constant. By reducing the acceleration of the scalar field, thermal friction increases the amount of accelerated expansion and can cause a sizable bump in the quintessence equation of state. We take special interest in the case where a steep potential rapidly changes from positive to negative as the field evolves, resulting in the end of cosmic expansion and the beginning of contraction. Even in this case, we find that thermal friction lengthens the period of accelerated expansion and consequently delays the end of cosmic expansion, making it challenging to detect the impending transition to contraction using conventional cosmological tests. However, particle production can also provide alternative avenues for detection by generating a background of thermal dark radiation, partly comprised of neutrinos or other particles, whose energy density exceeds the remnant photon energy density.

Cosmology and Nongalactic Astrophysics (astro-ph.C↗

DOE OSTI2023

On the relation between the subadditivity cone and the quantum entropy cone

Given a multipartite quantum system, what are the possible ways to impose mutual independence among some subsystems, and the presence of correlations among others, such that there exists a quantum state which satisfies these demands? This question and the related notion of a pattern of marginal independence (PMI) were introduced in [1], and then argued in [2] to be central in the derivation of the holographic entropy cone. Here we continue the general information theoretic analysis of the PMIs allowed by strong subadditivity (SSA) initiated in [1]. We show how the computation of these PMIs simplifies when SSA is replaced by a weaker constraint, dubbed Klein’s condition (KC), which follows from the necessary condition for the saturation of subadditivity (SA). Formulating KC in the language of partially ordered sets, we show that the set of PMIs compatible with KC forms a lattice, and we investigate several of its structural properties. One of our main results is the identification of a specific lower dimensional face of the SA cone that contains on its boundary all the extreme rays (beyond Bell pairs) that can possibly be realized by quantum states. We verify that for four or more parties, KC is strictly weaker than SSA, but nonetheless the PMIs compatible with SSA can easily be derived from the KC-compatible ones. For the special case of 1-dimensional PMIs, we conjecture that KC and SSA are in fact equivalent. To make the presentation self-contained, we review the key ingredients from lattice theory as needed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

Factorization connecting continuum & lattice TMDs

Transverse-momentum-dependent parton distribution functions (TMDs) can be studied from first principles by a perturbative matching onto lattice-calculable quantities: so-called lattice TMDs, which are a class of equal-time correlators that includes quasi-TMDs and TMDs in the Lorentz-invariant approach. We introduce a general correlator that includes as special cases these two Lattice TMDs and continuum TMDs, like the Collins scheme. Then, to facilitate the derivation of a factorization relation between lattice and continuum TMDs, we construct a new scheme, the Large Rapidity (LR) scheme, intermediate between the Collins and quasi-TMDs. The LR and Collins schemes differ only by an order of limits, and can be matched onto one another by a multiplicative kernel. We show that this same matching also holds between quasi and Collins TMDs, which enables us to prove a factorization relation between these quantities to all orders in α s . Our results imply that there is no mixing between various quark flavors or gluons when matching Collins and quasi TMDs, making the lattice calculation of individual flavors and gluon TMDs easier than anticipated. We cross-check these results explicitly at one loop and discuss implications for other physical-to-lattice scheme factorizations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

Bulk electronic structure of lanthanum hexaboride (LaB 6 ) by hard x-ray angle-resolved photoelectron spectroscopy

In the last decade rare-earth hexaborides have been investigated for their fundamental importance in condensed matter, and for their applications in advanced technological fields. Among these compounds, LaB 6 has a special place, being a traditional d-band metal without additional f- bands. In order to understand the bulk electronic structure of the more complex rare-earth hexaborides, in this paper we investigate the bulk electronic structure of LaB 6 using tender/hard x-ray photoemission spectroscopy, measuring both core-level and angle-resolved valence-band spectra. Furthermore, we compare the La 3d core level spectrum to cluster model calculations in order to understand the bulk-like core-hole screening effects. The results show that the La 3d well-screened peak is at a lower binding energy compared to the main poorly-screened peak; the relative intensity between these peaks depends on how strong the hybridization is between La and B atoms. Here, we show that the recoil effect, negligible in the soft x-ray regime, becomes prominent at higher kinetic energies for lighter elements, such as boron, but is still negligible for heavy elements, such as lanthanum. In addition, we report the bulk-like band structure of LaB6 determined by tender/hard x-ray angle-resolved photoemission spectroscopy (HARPES). We compare HARPES experimental results to the free-electron final-state calculations and to the more precise one-step photoemission theory including matrix element and phonon excitation effects. The agreement between the features present in the experimental ARPES data and the theoretical calculations is very good. In addition, we consider the nature and the magnitude of phonon excitations in order to interpret HARPES experimental data measured at different temperatures and excitation energies. We demonstrate that one step theory of photoemission and HARPES experiments provide, at present, the only approach capable of probing, both experimentally and theoretically, true “bulk-like” electronic band structure of rare-earth hexaborides and strongly correlated materials.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Moonshine, superconformal symmetry, and quantum error correction

Special conformal field theories can have symmetry groups which are interesting sporadic finite simple groups. Famous examples include the Monster symmetry group of a c = 24 twodimensional conformal field theory (CFT) constructed by Frenkel, Lepowsky and Meurman, and the Conway symmetry group of a c = 12 CFT explored in detail by Duncan and Mack-Crane. The Mathieu moonshine connection between the K3 elliptic genus and the Mathieu group M24 has led to the study of K3 sigma models with large symmetry groups. A particular K3 CFT with a maximal symmetry group preserving (4, 4) superconformal symmetry was studied in beautiful work by Gaberdiel, Taormina, Volpato, and Wendland [41]. The present paper shows that in both the GTVW and c = 12 theories the construction of superconformal generators can be understood via the theory of quantum error correcting codes. The automorphism groups of these codes lift to symmetry groups in the CFT preserving the superconformal generators. In the case of the N = 1 supercurrent of the GTVW model our result, combined with a result of T. Johnson-Freyd implies the symmetry group is the maximal subgroup of M24 known as the sextet group. (The sextet group is also known as the holomorph of the hexacode.) Building on [41] the Ramond-Ramond sector of the GTVW model is related to the Miracle Octad Generator which in turn leads to a role for the Golay code as a group of symmetries of RR states. Moreover, (4, 1) superconformal symmetry suffices to define and decompose the elliptic genus of a K3 sigma model into characters of the N = 4 superconformal algebra. The symmetry group preserving (4, 1) is larger than that preserving (4, 4).

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Staircases of passive and active scalar concentration in cellular flow

This paper develops a unified model for staircase formation in both passive and active scalar systems, building upon prior numerical studies by offering new heuristic and physical insights. While prior studies primarily reported numerical results, they did not explore the underlying unifying physics that governs both types of scalar transport; this work addresses that gap by identifying shared mechanisms across both cases. Results of studies of passive and active scalar staircase formation in cellular flows are presented. Staircase formation in cellular flows occurs due to the interplay of fast mixing within cells and slow transport across the inter-cell boundary. The cell boundary emerges as a de facto transport barrier. Special attention is focused on the effects of cellular fluctuations and noise upon staircase structure. A forced, fluctuating vortex array model is used to drive the underlying flow structure. Cellular Peclet number and staircase profile curvature are identified as figures-of-merit to quantify the resiliency of layering. These are related to simple, multi-scatterer scalar random walk models. Results for Peclet number and curvature scaling with flow excitation are presented. We also study staircases of magnetic potential evolving in two-dimensional magnetohydrodynamics as examples of layering of active scalar concentration. Formation of magnetic potential staircases is indeed observed. Flux expulsion inhibits the intercellular transport of magnetic potential and strengthens staircase barriers. Magnetic staircases can be supported against resistive decay by magnetic potential noise forcing. Implications for staircase formation in magnetic confinement experiments are discussed.

Control theory↗

NASA NTRS1995

Nonequilibrium, large-amplitude MHD fluctuations in the solar wind

Compressible MHD simulations in one dimension with three-dimensional vectors are used to investigate a number of processes relevant to problems in interplanetary physics. The simulations indicate that a large-amplitude nonequilibrium (e.g., linearly polarized) Alfvenic wave, which always starts with small relative fluctuations in the magnitude B of the magnetic field, typically evolves to flatten the magnetic profile in most regions. Under a wide variety of conditions B and the density rho become anticorrelated on average. If the mean magnetic field is allowed to decrease in time, the point where the transverse magnetic fluctuation amplitude delta B(sub T) is greater than the mean field B(sub 0) is not special, and large values of delta B(sub T)/B(sub 0) do not cause the compressive thermal energy to increase remarkably or the wave energy to dissipate at an unusually high rate. Nor does the 'backscatter' of the waves that occurs when the sound speed is less than the Alfven speed result, in itself, in substantial energy dissipation, but rather primarily in a phase change between the magnetic and velocity fields. For isolated wave packets the backscatter does not occur for any of the parameters examined; an initial radiation of acoustic waves away from the packet establishes a stable traveling structure. Thus these simulations, although greatly idealized compared to reality, suggest a picture in which the interplanetary fluctuations should have small deltaB and increasingly quasi-pressure balanced compressive fluctuations, as observed, and in which the dissipation and 'saturation' at delta B(sub T)/B(sub 0) approximately = 1 required by some theories of wave acceleration of the solar wind do not occur. The simulations also provide simple ways to understand the processes of nonlinear steepening and backscattering of Alfven waves and demonstrate the existence of previously unreported types of quasi-steady MHD states.

Roberts, D. Aaron↗

DOE OSTI2024

Unveiling Structural Heterogeneity and Imbalance of Gold Decahedral Nanoparticles using Four-dimensional Scanning Transmission Electron Microscopy

Multi-twinned structures have been observed in technologically important crystal systems, for example diamond cubic and face-centered cubic (FCC) lattices, that include materials such as diamond, silicon, a wide range of noble metals, and their nanoscale counterparts. Beyond atomic building blocks, the special arrangements also occur in the self-assembly of nanoparticles (NP) and μm-sized colloidal particles and occupy parts of their phase diagrams. Spanning a wide range of length scales, the universality of the structures arises when the systems attempt to achieve multitwinned structures by overcoming geometric misfits during minimizing surface energies with entirely {111} or close-packing facets. While it is fundamental to understand how strain is sustained upon twinned structures and symmetry breaking, the knowledge will be paramount in practical aspects such as guiding and controlling the thin film growth, anisotropic NP growth, and self-assembly of NPs. Au decahedral (Dh) NP, as the most prevalent multi-twinned model system, fits five tetrahedral motifs into a circle by sharing an axis resulting in a geometric misfit angle of 7.35°, or a disclination with power of -7.35°. Postulating how Au FCC lattice adopts the misfit, theoretical models have been developed to address the underlying lattice symmetry and inhomogeneous strain distribution separately. Yet, experimental reports regarding the former have been limited due to the relatively large X-ray beam sizes that do not fit the sizes of NPs. On the other hand, though the latter has been widely adapted in the thermodynamics of small (<10 nm) multi-twinned nanoparticles, previous literature has shown that, at edge length of 17 nm, the theory’s is invalidated by shear strain that is observed in a defect-free Au Dh NP by high-resolution transmission electron microscopy (HR-TEM) imaging. Though the advancement of aberrationcorrected scanning transmission electron microscopy (AC-STEM) imaging and ab initio calculation techniques brings new opportunities, along with challenges in complicated image analysis and limitation in particle size (usually below 10 nm), the gap between nanoscale and mesoscale has never been extended to gain insight from atomic system with straightforward interaction potentials.

4D-STEM↗

DOE OSTI2025

Green’s Function Perspective on the Nonlinear Density Response of Quantum Many-Body Systems

We derive equations of motion for higher order density response functions using the theory of thermodynamic Green’s functions. We also derive expressions for the higher order generalized dielectric functions and polarization functions. Moreover, we relate higher order response functions and higher order collision integrals within the Martin–Schwinger hierarchy. We expect our results to be highly relevant to the study of a variety of quantum many-body systems such as matter under extreme temperatures, densities, and pressures.

Density Functional Theory↗