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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Fresnel diffraction imaging of surface nanostructure using coherent resonant x-ray scattering

We investigated surface nanostructures on an antiferromagnet MnBi 2 Te 4 using a novel imaging technique, direct (real)-space and real time coherent x-ray imaging (direct-CXI). This technique has provided new insights into antiferromagnetic textures, including the formation of anti-phase antiferromagnetic (AFM) domains and thermal dynamics of AFM domains and domain walls. While this method produces real-space images of AFM textures without requiring a complex imaging retrieval process, its underlying imaging mechanism has not been fully understood, limiting a deep understanding of AFM textures and the information they contain. By investigating the well-defined structural characteristics of the nanostructures fabricated on MnBi 2 Te 4 ⁠, we elucidate the imaging principle of this novel technique. We find that the observed images can be well explained by the Fresnel diffraction integral. Using a simple model from classical optics, our calculations successfully reproduce the experimentally observed images of the nanostructures. This demonstrates that direct-CXI not only provides straightforward real-space imaging but also contains phase information through its Fresnel diffraction integral.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Quantum phase transitions in a model Hamiltonian exhibiting entangled simultaneous fermion-pair and exciton condensations

Quantum states of a novel Bose-Einstein condensate, in which both fermion-pair and exciton condensations are simultaneously present, have recently been realized theoretically in a model Hamiltonian system. Here, in this study, we identify quantum phase transitions in that model between fermion-pair and exciton condensations based on a geometric analysis of the convex set of ground-state two-particle reduced density matrices (2-RDMs). The 2-RDM set provides a finite representation of the infinite parameter space of Hamiltonians that readily reveals a fermion-pair condensate phase and two distinct exciton condensate phases, as well as the emergence of first- and second-order phase transitions as the particle number of the system is increased. The set, furthermore, shows that the fermion-exciton condensate (FEC) lies along the second-order phase transition between the exciton and fermion-pair condensate phases. The detailed information about the exciton and fermion-pair phases, the forces behind these phases, as well as their associated transitions provides additional insight into the formation of the FEC condensate, which we anticipate will prove useful in its experimental realization.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Observation of quantum entanglement with top quarks at the ATLAS detector

Abstract Entanglement is a key feature of quantum mechanics 1–3 , with applications in fields such as metrology, cryptography, quantum information and quantum computation 4–8 . It has been observed in a wide variety of systems and length scales, ranging from the microscopic 9–13 to the macroscopic 14–16 . However, entanglement remains largely unexplored at the highest accessible energy scales. Here we report the highest-energy observation of entanglement, in top–antitop quark events produced at the Large Hadron Collider, using a proton–proton collision dataset with a centre-of-mass energy of √s = 13 TeV and an integrated luminosity of 140 inverse femtobarns (fb) −1 recorded with the ATLAS experiment. Spin entanglement is detected from the measurement of a single observableD, inferred from the angle between the charged leptons in their parent top- and antitop-quark rest frames. The observable is measured in a narrow interval around the top–antitop quark production threshold, at which the entanglement detection is expected to be significant. It is reported in a fiducial phase space defined with stable particles to minimize the uncertainties that stem from the limitations of the Monte Carlo event generators and the parton shower model in modelling top-quark pair production. The entanglement marker is measured to beD = −0.537 ± 0.002 (stat.) ± 0.019 (syst.) for$$340\,{\rm{GeV}} < {m}_{t\bar{t}} < 380\,{\rm{GeV}}$$ 340 GeV < m t t ¯ < 380 GeV . The observed result is more than five standard deviations from a scenario without entanglement and hence constitutes the first observation of entanglement in a pair of quarks and the highest-energy observation of entanglement so far.

Science & Technology - Other Topics↗
DOE OSTI2022

Quantum computation of phase transition in the massive Schwinger model

Abstract As pointed out by Coleman, physical quantities in the Schwinger model depend on a parameter θ that determines the background electric field. There is a phase transition for θ = π only. We develop a momentum space formalism on a lattice and use it to perform a quantum computation of the critical point of this phase transition on the NISQ device IMB Q Lima. After error mitigation, our results give strong indication of the existence of a critical point at m / e ≃ 0.32, where m is the bare fermion mass and e is the coupling strength, in good agreement with the classical numerical result m / e ≃ 0.3335.

Physics↗
DOE OSTI2023

Properties of first-order hadron-quark phase transition from inverting neutron star observables

By inverting the observational data of several neutron star observables in the three-dimensional parameter space of the constant speed of sound (CSS) model while fixing all hadronic equation-of-state parameters at their currently known most probable values, we constrain the three parameters of the CSS model and their correlations. Using two lower radius limits of $R$ $2.01$ = $11.41$ km and $R$ $2.01$ = $12.2$ km for PSR J0740+6620 obtained from two independent analyses using different approaches by the Neutron Star Interior Composition Explorer (NICER) Collaboration, the speed of sound squared $c$ $^2_{QM}$ in quark matter is found to have a lower limit of 0.35 or 0.43 in units of $c$ $2$ , above its conformal limit of $c$ $^2_{QM}$ < $1/3$. Furthermore, an approximately linear correlation between the first-order hadron-quark transition density $ρ$ $t$ and its strength $Δε$ is found. Moreover, the presence of twin stars is deemed improbable by the present work.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Line-Graph Approach to Spiral Spin Liquids

Competition among exchange interactions is able to induce novel spin correlations on a bipartite lattice without geometrical frustration. A prototype example is the spiral spin liquid, which is a correlated paramagnetic state characterized by subdimensional degenerate propagation vectors. Here, using spectral graph theory, we show that spiral spin liquids on a bipartite lattice can be approximated by a further-neighbor model on the corresponding line-graph lattice that is nonbipartite, thus broadening the space of candidate materials that may support the spiral spin liquid phases. As examples, we examine neutron scattering experiments performed on two spinel compounds, ZnCr 2 Se 4 and CuInCr 4 Se 8 , to demonstrate the feasibility of this new approach and expose its possible limitations in experimental realizations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Modeling the Amplfied OSC Experiment at IOTA

Optical Stochastic Cooling (OSC), a beam cooling technique based on Stochastic Cooling, is in the early stages of experimental development. It uses radiation produced by the beam in an undulator magnet (the pickup) to correct the momentum deviation of particles downstream in another undulator (the kicker). The OSC mechanism was recently demonstrated at Fermilabʼs IOTA ring using a passive configuration. However, the cooling rate of OSC can be dramatically increased by first amplifying the undulator radiation before applying the corrective kick. In collaboration with the IOTA experiment, we developed a computational model of the OSC mechanism. This work presents beam‐dynamics simulations of the amplified‐OSC configuration. We implement a model of intrabeam scattering and study the effects on beam equilibrium and diffusion rate as a function of bunch charge. Finally, we investigate the phase‐space dynamics with various coupling configurations between the transverse and longitudinal planes.

Dick, A. J.↗
DOE OSTI2026

Magnetic field dependence of the spin fluctuations in CeCu 5.8 ⁢Ag 0.2

Quantum phase transitions are among the most intriguing phenomena that can occur when the electronic ground state of correlated metals are tuned by external parameters such as pressure, magnetic field, or chemical substitution. Such transitions between distinct states of matter are driven by quantum fluctuations, and can give rise to macroscopically coherent phases that are at the forefront of condensed matter research. However, the nature of the critical fluctuations, and thus the fundamental physics controlling many quantum phase transitions, remain poorly understood in numerous strongly correlated metals. Here we study the model material CeCu 5.8⁢ Ag 0.2 to gain insight into the implications of critical fluctuations originating from different regions in reciprocal space. By employing an external magnetic field along the crystallographic 𝑎 and 𝑐 axis as auxiliary tuning parameter, we observe a pronounced anisotropy in the suppression of the quantum critical fluctuations, reflecting the spin anisotropy of the long-range ordered ground state at larger silver concentration. Coupled with the temperature dependence of the quantum fluctuations, these results suggest that the quantum phase transition in CeCu 5.8⁢ Ag 0.2 is driven by three-dimensional spin-density wave fluctuations.

Boraley, Xavier [Paul Scherrer Inst. (PSI), Villig↗
DOE OSTI2024

Low-temperature gas-phase formation of cyclopentadiene and its role in the formation of aromatics in the interstellar medium

The cyclopentadiene (C 5 H 6 ) molecule has emerged as a molecular building block of nonplanar polycyclic aromatic hydrocarbons (PAHs) and carbonaceous nanostructures such as corannulene (C 20 H 10 ), nanobowls (C 40 H 10 ), and fullerenes (C 60 ) in deep space. However, the underlying elementary gas-phase processes synthesizing cyclopentadiene from acyclic hydrocarbon precursors have remained elusive. Here, by merging crossed molecular beam experiments with rate coefficient calculations and comprehensive astrochemical modeling, we afford persuasive testimony on an unconventional low-temperature cyclization pathway to cyclopentadiene from acyclic precursors through the reaction of the simplest diatomic organic radical—methylidyne (CH)—with 1,3-butadiene (C 4 H 6 ) representing main route to cyclopentadiene observed in TaurusMolecular Cloud. This facile route provides potential solution for the incorporation of the cyclopentadiene moiety in complex aromatic systems via bottom–up molecular mass growth processes and offers an entry point to the low-temperature chemistry in deep space leading eventually to nonplanar PAHs in our carbonaceous Universe.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Online data-driven changepoint detection for high-dimensional dynamical systems

In this study, the detection of anomalies or transitions in complex dynamical systems is of critical importance to various applications. In this study, we propose the use of machine learning to detect changepoints for high-dimensional dynamical systems. Here, changepoints indicate instances in time when the underlying dynamical system has a fundamentally different characteristic—which may be due to a change in the model parameters or due to intermittent phenomena arising from the same model. We propose two complementary approaches to achieve this, with the first devised using arguments from probabilistic unsupervised learning and the latter devised using supervised deep learning. To accelerate the deployment of transition detection algorithms in high-dimensional dynamical systems, we introduce dimensionality reduction techniques. Our experiments demonstrate that transitions can be detected efficiently, in real-time, for the two-dimensional forced Kolmogorov flow and the Rössler dynamical system, which are characterized by anomalous regimes in phase space where dynamics are perturbed off the attractor at potentially uneven intervals. Finally, we also demonstrate how variations in the frequency of detected changepoints may be utilized to detect a significant modification to the underlying model parameters by utilizing the Lorenz-63 dynamical system.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Supercritical fluids behave as complex networks

Abstract Supercritical fluids play a key role in environmental, geological, and celestial processes, and are of great importance to many scientific and engineering applications. They exhibit strong variations in thermodynamic response functions, which has been hypothesized to stem from the microstructural behavior. However, a direct connection between thermodynamic conditions and the microstructural behavior, as described by molecular clusters, remains an outstanding issue. By utilizing a first-principles-based criterion and self-similarity analysis, we identify energetically localized molecular clusters whose size distribution and connectivity exhibit self-similarity in the extended supercritical phase space. We show that the structural response of these clusters follows a complex network behavior whose dynamics arises from the energetics of isotropic molecular interactions. Furthermore, we demonstrate that a hidden variable network model can accurately describe the structural and dynamical response of supercritical fluids. These results highlight the need for constitutive models and provide a basis to relate the fluid microstructure to thermodynamic response functions.

42 ENGINEERING↗
DOE OSTI2025

A Panoramic View of MXenes via an Atomic Coordination‐Based Design Strategy

Two‐dimensional (2D) transition metal carbides and nitrides, known as MXenes, possess unique physical and chemical properties, enabling diverse applications in fields ranging from energy storage to communication, catalysis, sensing, healthcare, and beyond. Despite extensive research and notable advancements, a fundamental understanding of MXenes’ phase diversity and its connection to their hierarchical precursors, including the intermediate MAX phases and the ancestral bulk phases, remains limited. Here, in this study, it is hypothesized that the atomic coordination environments adopted by transition metal and nonmetallic atoms in their three‐dimensional (3D) bulk precursors may persist in 2D MXenes to govern their phase diversity. Using high‐throughput modeling based on first‐principles density functional theory, a wide range of MXene phases is unveiled and comprehensively evaluate their relative stabilities across a large chemical space. The key to the approach lies in considering various atomic coordination environments drawn from four types of ancestral bulk phases. Through this comprehensive structural library of MXenes, general guiding principles are uncovered, such as a close alignment between the phase stability of MXenes and that of their 3D precursors. These findings introduce a new design strategy in which the atomic coordination environments in bulk phases can serve as reliable predictors for accessing the diverse structural landscape of MXenes.

MXenes↗
DOE OSTI2026

Probing CP and flavor violation in neutral kaon decays with ALPs

We analyze the three-body decays of the long-lived neutral kaon K L → ππa, where a is an axion-like particle (ALP), and compare them to the two-body decay K L → π 0 a. While the latter requires both flavor violation (FV) and CP violation (CPV), the former can proceed via FV alone, allowing the ratio of decay rates to serve as a probe of CPV of the underlying UV theory. We emphasize the importance of weak-interaction-induced contributions, often neglected in recent calculations. We explore both minimal and non-minimal flavor-violating scenarios, and identify classes of models where ALP production from neutral three-body decays is comparable to — or even dominates over — the two-body decay, despite its reduced phase space. Finally, we discuss the phenomenological implications of our results and show how these decays can provide complementary probes of ALP couplings beyond those accessible via charged kaon channels.

Axions and ALPs↗
DOE OSTI2022

The DOE E3SM Model Version 2: Overview of the Physical Model and Initial Model Evaluation

Abstract This work documents version two of the Department of Energy's Energy Exascale Earth System Model (E3SM). E3SMv2 is a significant evolution from its predecessor E3SMv1, resulting in a model that is nearly twice as fast and with a simulated climate that is improved in many metrics. We describe the physical climate model in its lower horizontal resolution configuration consisting of 110 km atmosphere, 165 km land, 0.5° river routing model, and an ocean and sea ice with mesh spacing varying between 60 km in the mid‐latitudes and 30 km at the equator and poles. The model performance is evaluated with Coupled Model Intercomparison Project Phase 6 Diagnosis, Evaluation, and Characterization of Klima simulations augmented with historical simulations as well as simulations to evaluate impacts of different forcing agents. The simulated climate has many realistic features of the climate system, with notable improvements in clouds and precipitation compared to E3SMv1. E3SMv1 suffered from an excessively high equilibrium climate sensitivity (ECS) of 5.3 K. In E3SMv2, ECS is reduced to 4.0 K which is now within the plausible range based on a recent World Climate Research Program assessment. However, a number of important biases remain including a weak Atlantic Meridional Overturning Circulation, deficiencies in the characteristics and spectral distribution of tropical atmospheric variability, and a significant underestimation of the observed warming in the second half of the historical period. An analysis of single‐forcing simulations indicates that correcting the historical temperature bias would require a substantial reduction in the magnitude of the aerosol‐related forcing.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Multipoint Correlations in Poisson Media

Multipoint correlations in randomly heterogeneous composite media are determined by the probability that a set of points belong to specific phases. They determine a wide range of macroscopic transport properties such as conductivity, dielectric constant, diffusion coefficient, and transmittance. The Poisson model—a random tesselation of space by hyperplanes—provides realistic descriptions of heterogeneous media in, e.g., radiation-transport applications; yet, until now, it has lacked closed-form expressions for its multipoint correlations. We resolve this problem by presenting an exact solution for the multipoint correlations in the Poisson model. By comparing it to Monte Carlo simulations of four-point correlations in three dimensions, we demonstrate the accuracy of our solution. In conclusion, we visualize the multipoint correlations and discuss their features.

Amorphous materials↗
DOE OSTI2020

Instabilities of the normal state in current-biased narrow superconducting strips

We study the current-voltage characteristic of narrow superconducting strips in the gapless regime near the critical temperature in the framework of the Ginzburg-Landau model. Our focus is on its instabilities occurring at high current biases. The latter are consequences of dynamical states with periodic phase-slip events in space and time. We analyze their structure and derive the value of the reentrance current at the onset of the instability of the normal state. It is expressed in terms of the kinetic coefficient of the time-dependent Ginzburg-Landau equation and calculated numerically.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Planck constraints and gravitational wave forecasts for primordial black hole dark matter seeded by multifield inflation

Here, we perform a Markov Chain Monte Carlo analysis of a simple yet generic multifield inflation model characterized by two scalar fields coupled to each other and nonminimally coupled to gravity, fit to Planck 2018 cosmic microwave background (CMB) data. In particular, model parameters are constrained by data on the amplitude of the primordial power spectrum of scalar curvature perturbations on CMB scales A s , the spectral index n s , and the ratio of power in tensor to scalar modes r, with a prior that the primordial power spectrum should also lead to primordial black hole (PBH) production sufficient to account for the observed dark matter abundance. We find that n s in particular controls the constraints on our model. Whereas previous studies of PBH formation from an ultraslow-roll phase of inflation have highlighted the need for at least one model parameter to be highly fine-tuned, we identify a degeneracy direction in parameter space such that shifts by ~10% of one parameter can be compensated by comparable shifts in other parameters while preserving a close fit between model predictions and observations. Furthermore, we find this allowed parameter region produces observable gravitational wave signals in the frequency ranges to which upcoming experiments are projected to be sensitive, including Advanced LIGO and Virgo, the Einstein Telescope, Cosmic Explorer, DECIGO, and LISA.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Magnetism in metastable and annealed compositionally complex alloys

Compositionally complex materials (CCMs) present a potential paradigm shift in the design of magnetic materials. These alloys exhibit long-range structural order coupled with limited or no chemical order. As a result, extreme local environments exist with a large variations in the magnetic energy terms, which can manifest large changes in the magnetic behavior. In the current work, the magnetic properties of (Cr, Mn, Fe, Ni) alloys are presented. These materials were prepared by room-temperature combinatorial sputtering, resulting in a range of compositions with a single bcc structural phase and no chemical ordering. The combinatorial growth technique allows CCMs to be prepared outside of their thermodynamically stable phase, enabling the exploration of otherwise inaccessible order. The mixed ferromagnetic and antiferromagnetic interactions in these alloys causes frustrated magnetic behavior, which results in an extremely low coercivity (<1mT), which increases rapidly at 50 K. At low temperatures, the coercivity achieves values of nearly 500 mT, which is comparable to some high-anisotropy magnetic materials. Further, commensurate with the divergent coercivity is an atypical drop in the temperature dependent magnetization. These effects are explained by a mixed magnetic phase model, consisting of ferro-, antiferro-, and frustrated magnetic regions, and are rationalized by simulations. A machine-learning algorithm is employed to visualize the parameter space and inform the development of subsequent compositions. Annealing the samples at 600 °C orders the sample, more-than doubling the Curie temperature and increasing the saturation magnetization by as much as 5×. Simultaneously, the large coercivities are suppressed, resulting in magnetic behavior that is largely temperature independent over a range of 350 K. The ability to transform from a hard magnet to a soft magnet over a narrow temperature range makes these materials promising for heat-assisted recording technologies.

36 MATERIALS SCIENCE↗