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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Numerical simulations of liquid jetting with solid inclusions

The dynamics of finite-sized particles in fluids, and their influence on the overall flow, are of great interest across several industrial, environmental, and medical fields. In the context of inkjet printing, the presence of solid inclusions can be either intentional, as in additive manufacturing, or unintentional, as in standard printing processes. These inclusions can strongly impact the jetting process, causing effects such as jet asymmetry, bubble entrapment, and the formation of satellite droplets. Understanding and controlling particle behavior is therefore essential, particularly to predict how and when particles are ejected over multiple jetting cycles. It is therefore critical to develop reliable models that allow for a deeper understanding of the complex interplay between particle and fluid during the whole printing process. To address this, we present a tailored implementation of the Color-Gradient multicomponent Lattice Boltzmann Method for fully resolved three-dimensional (3D) simulations of multicycle liquid jetting with particles. Our method supports realistic parameter settings aligned with industrial inkjet systems, and we provide both qualitative and quantitative validation against experimental data. Additionally, we introduce a simplified model based on the Stokes drag law, in which solid particles are represented as point particles and do not influence the fluid flow. Despite this limitation, the model offers a computationally efficient means to explore the vast parameter space typically encountered in industrial applications, allowing, e.g., identifying critical ejection regions and estimating the number of cycles required for particle release. These qualitative insights are valuable for guiding and complement fully two-way coupled simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Static magnetic order with strong quantum fluctuations in spin-1/2 honeycomb magnet Na 2 Co 2 TeO 6

Kitaev interactions, arising from the interplay of frustration and bond anisotropy, can lead to strong quantum fluctuations and, in an ideal case, to a quantum-spin-liquid state. However, in many nonideal materials, spurious non-Kitaev interactions typically promote a zigzag antiferromagnetic order in the d-orbital transition-metal compounds. Here, by combining neutron scattering with muon-spin rotation and relaxation techniques, we provide mechanism insights into the exotic properties of Na 2 Co 2 TeO 6 , a candidate material of the Kitaev model. Below T N , the zero-field muon-spin relaxation rate becomes almost constant (~0.45 μs –1 ). We attribute this temperature-independent relaxation rate to the strong quantum fluctuations, as well as to the frustrated Kitaev interactions. As the magnetic field increases, neutron scattering data indicate a broader spin-wave excitation at the K-point. Therefore, quantum fluctuations seem not only robust but are even enhanced by the applied magnetic field. Our findings provide valuable hints for understanding the onset of the quantum-spin-liquid state in Kitaev materials.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Equation of state within the EPOS3 model

Transitions between different states of matter and their thermodynamic properties are described by the Equation of State (EoS). A universal representation of the EoS of quantum chromodynamics for the wide range of phase diagrams has yet to be determined. The expectation of the systems to undergo various types of transitions depending on the temperature (T), the chemical potential (μ B ), and other thermodynamic features make solving that puzzle challenging. Furthermore, it needs to be apparent which experimentally measurable observables could provide helpful information for determining EoS. The application of different EoS for hydrodynamical evolution was introduced in the EPOS3 generator, which allows one to study its changing effect on the experimental observables. The family of EoS proposed by the BEST Collaboration was implemented. The critical point location and the strength of criticality variations were investigated with particle yield, transverse momentum spectra, flow, and moments of the net-proton distributions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Emergent superconductivity in topological-kagome-magnet/metal heterostructures

Itinerant kagome lattice magnets exhibit many novel correlated and topological quantum electronic states with broken time-reversal symmetry. Superconductivity, however, has not been observed in this class of materials, presenting a roadblock in a promising path toward topological superconductivity. Here, we report that novel superconductivity can emerge at the interface of kagome Chern magnet TbMn 6 Sn 6 and metal heterostructures when elemental metallic thin films are deposited on either the top (001) surface or the side surfaces. Superconductivity is also successfully induced and systematically studied by using various types of metallic tips on different TbMn 6 Sn 6 surfaces in point-contact measurements. The anisotropy of the superconducting upper critical field suggests that the emergent superconductivity is quasi-two-dimensional. Remarkably, the interface superconductor couples to the magnetic order of the kagome metal and exhibits a hysteretic magnetoresistance in the superconducting states. Taking into account the spin-orbit coupling, the observed interface superconductivity can be a surprising and more realistic realization of the p-wave topological superconductors theoretically proposed for two-dimensional semiconductors proximity-coupled to s-wave superconductors and insulating ferromagnets. Our findings of robust superconductivity in topological-Chern-magnet/metal heterostructures offer a new direction for investigating spin-triplet pairing and topological superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Mechanisms of in-plane magnetic anisotropy in superconducting NbSe 2

Here we present a unifying picture of the magnetic in-plane anisotropies of two-dimensional superconductors based on transition metal dichalcogenides. The symmetry considerations are first applied to constrain the form of the conductivity tensor. We hence conclude that the twofold periodicity of transport distinct from the planar Hall-related contributions requires a tensor perturbation. At the same time, the sixfold periodic variation of the critical field results from the Rashba spin-orbit coupling on a hexagonal lattice. We have considered the effect of a weak tensor perturbation on the critical field, gap function, and magnetoconductivity. The latter is studied using the time-dependent Ginzburg-Landau phenomenology. The common origin of the π periodicity in transport and thermodynamics properties is identified. The scheme constructed here is applied to describe the existing theoretical scenarios from a unified point of view. This allows us to single out the differences and similarities between the suggested approaches.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Random Close Packing as a Dynamical Phase Transition

Sphere packing is an ancient problem. The densest packing is known to be a face-centered cubic (FCC) crystal, with space-filling fraction Φ FCC = π / √ 18 ≈ 0.74 . The densest “random packing,” random close packing (RCP), is yet ill defined, although many experiments and simulations agree on a value Φ RCP ≈ 0.64 . We introduce a simple absorbing-state model, biased random organization (BRO), which exhibits a Manna class dynamical phase transition between absorbing and active states that has as its densest critical point Φ cmax ≈ 0.64 ≈ Φ RCP and, like other Manna class models, is hyperuniform at criticality. The configurations we obtain from BRO appear to be structurally identical to RCP configurations from other protocols. This leads us to conjecture that the highest-density absorbing state for an isotropic biased random organization model produces an ensemble of configurations that characterizes the state conventionally known as RCP.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Edge‐Driven Fringe‐Field Effects, Reduced Screening, and Bandgap Widening in Graphene Nanoribbons Enable Single‑Molecule Sensitivity

Graphene nanoribbons (GNRs) offer promising platforms for single‐molecule sensing due to their quasi‐1D channels and discrete electronic states, providing superior sensitivity toward molecular perturbations. While prior studies emphasize smoother edges as essential for optimal performance, the potential benefits of controlled edge roughness remain largely unexplored. Additionally, most investigations focus on GNR arrays, leaving critical edge‐ and width‐dependent factors, including fringe fields, bandgap widening, interactions between adsorbing molecules and GNR atoms, density of states (DOS) suppression, and electrostatic screening lengths, and their collective impact on sensitivity, poorly understood. Here, in this work, we fabricated field‐effect transistors using individual GNRs (widths: 200–20 nm) and characterized their response to molecular adsorption with perfluorooctanoic acid as the model analyte. Narrower ribbons displayed significantly enhanced sensitivity, yielding a coverage‐normalized response of 116 ± 10 mV per molecule in 20 nm‐wide GNRs (from calibrated ensemble Dirac‐point shifts). Experimental and theoretical analyses reveal that this heightened sensitivity arises from stronger fringe fields, width‐dependent quantum confinement effects, reduced DOS, and increased edge roughness that facilitates molecular anchoring, enhanced orbital overlap, and improved charge transfer efficiency. Our findings challenge the conventional assumption that smoother edges inherently enhance sensor performance, demonstrating that controlled edge disorder substantially boosts molecular sensitivity in GNR sensors.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Destabilization of binary mixing layer in supercritical conditions

Compressible mixing layer instabilities are of importance to a wide range of environmental and industrial applications. Past studies have focused on either ideal-gas or real-fluid thermodynamic regimes of single-species mixing layers. However, mixing layers of binary mixtures at supercritical conditions, commonly encountered in fuel injection systems, introduce additional complexities due to the added compositional degree-of-freedom. Moreover, the effect of strong variations in thermodynamic response functions across the Widom line on the binary mixing layer stability remains poorly understood. Thus, the objective of this study is to examine the coupling between the hydrodynamic instability and the real-fluid thermodynamics across the Widom line and its effects on the overall binary mixing layer dynamics. To this end, we develop a linear stability analysis of the full binary-species compressible transport equations coupled with the PC-SAFT equation of state. Analysis shows the existence of a novel instability mechanism that arises from juxtapositioning of the Widom-line transition and the hydrodynamic inflection point. This novel thermodynamically induced instability mechanism has the net effect of destabilizing the binary mixing layer at lowering supercritical conditions towards the critical pressure point. This is in contrast to previous stability analyses of supercritical single-species mixing layers, where increasing pressure destabilizes the flow due to its effect on reducing the density stratification. The discovered thermodynamically induced instability mechanism of binary mixing flows highlights the need for an extension of classical instability criteria to incorporate the effect of strong variations in the thermodynamic response functions across the Widom line on mixing layer instability.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Nonequilibrium universality of the nonreciprocally coupled 𝑂⁡(𝑛 1 ) × 𝑂⁡(𝑛 2 ) model

Nonequilibrium dynamics play an important role in all contexts of physics, both classical and quantum as well as living and nonliving, so it is crucial to develop a foundational understanding of nonequilibrium phase transitions. In this work we investigate an important class of nonequilibrium dynamics in the form of nonreciprocal interactions. In particular we study how nonreciprocal coupling between two 𝑂⁡(𝑛𝑖) order parameters (with 𝑖 = 1,2) affects the universality at a multicritical point, extending the analysis of J. T. Young et al. [Phys. Rev. X 10, 011039 (2020)], which considered the case 𝑛 1 = 𝑛 2 = 1, i.e., a ℤ 2 × ℤ 2 model. We show that nonequilibrium fixed points (NEFPs) emerge for a broad range of 𝑛 1 ,𝑛 2 and exhibit intrinsically nonequilibrium critical phenomena, namely a violation of fluctuation-dissipation relations at all scales and underdamped oscillations near criticality in contrast to the overdamped relaxational dynamics of the corresponding equilibrium models. Furthermore, the NEFPs exhibit an emergent discrete scale invariance in certain physically relevant regimes of 𝑛 1 ,𝑛 2 , but not others, depending on whether the critical exponent 𝜈 is real or complex. The boundary between these two regions is described by an exceptional point in the renormalization group (RG) flow, leading to distinctive features in correlation functions and the phase diagram. Another contrast with the previous work is the number and stability of the NEFPs as well as the underlying topology of the RG flow. Lastly, we investigate an extreme form of nonreciprocity where one order parameter is independent of the other order parameter but not vice versa. Unlike the ℤ 2 × ℤ 2 model, which becomes nonperturbative in this case, we identify a distinct nonequilibrium universality class whose dependent field similarly violates fluctuation-dissipation relations but does not exhibit discrete scale invariance or underdamped oscillations near criticality.

Critical phenomena↗
DOE OSTI2023

Triviality of quantum trajectories close to a directed percolation transition

Here we study quantum circuits consisting of unitary gates, projective measurements, and control operations that steer the system toward a pure absorbing state. Two types of phase transition occur as the rate of these control operations is increased: a measurement-induced entanglement transition, and a directed percolation transition into the absorbing state (taken here to be a product state). In this work, we show analytically that these transitions are generically distinct, with the quantum trajectories becoming disentangled before the absorbing state transition is reached, and we analyze their critical properties. We introduce a simple class of models where the measurements in each quantum trajectory define an effective tensor network (ETN)—a subgraph of the initial spacetime graph where nontrivial time evolution takes place. By analyzing the entanglement properties of the ETN, we show that the entanglement and absorbing-state transitions coincide only in the limit of the infinite local Hilbert-space dimension. Focusing on a Clifford model which allows numerical simulations for large system sizes, we verify our predictions and study the finite-size crossover between the two transitions at large local Hilbert space dimension. We give evidence that the entanglement transition is governed by the same fixed point as in hybrid circuits without feedback.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

A dissipation-induced superradiant transition in a strontium cavity-QED system

Driven-dissipative many-body systems are ubiquitous in nature and a fundamental resource for quantum technologies. However, they are also complex and hard to model because they cannot be described by the standard tools in equilibrium statistical mechanics. Probing nonequilibrium critical phenomena in pristine setups can illuminate fresh perspectives on these systems. Here, we use an ensemble of cold 88 Sr atoms coupled to a driven high-finesse cavity to study the cooperative resonance fluorescence (CRF) model, a classic driven-dissipative model describing coherently driven dipoles superradiantly emitting light. We observe its nonequilibrium phase diagram characterized by a second-order phase transition. Below a critical drive strength, the atoms quickly reach the so-called superradiant steady state featuring a macroscopic dipole moment; above the critical point, the atoms undergo persistent Rabi-like oscillations. At longer times, spontaneous emission transforms the second-order transition into a discontinuous first-order transition. Our observations pave the way for harnessing robust entangled states and exploring boundary time crystals in driven-dissipative systems.

Science & Technology - Other Topics↗
DOE OSTI2021

Modulation and Modeling of Three-Dimensional Nanowire Assemblies Targeting Gas Sensors with High Response and Reliability

Despite improved sensitivity, simple downsizing of gas-sensing components to randomly arranged nanostructures often faces challenges associated with unpredictable electrical conduction pathways. In the present study, controlled fabrication of three-dimensional (3D) metal oxide nanowire networks is demonstrated that can greatly improve both signal stability and sensor response compared to random nanowire arrays. For example, the highest ever reported H 2 S gas response value, and a 5 times lower relative standard deviation of baseline resistance than that of random nanowires assemblies, are achieved with the ordered 3D nanowire network. Systematic engineering of 3D geometries and their modeling, utilizing equivalent circuit components, provide additional insights into the electrical conduction and gas-sensing response of 3D assemblies, revealing the critical importance of wire-to-wire junction points and their arrangement. Here these findings suggest new design rules for both enhanced performance and reliability of chemical sensors, which may also be extended to other devices based on nanoscale building blocks.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Instant Folded Strings, Dark Energy and a Cyclic Bouncing Universe

We present a wholly self-consistent, complete cyclic bouncing cosmology based on components drawn from string theory and constructed in a way that is under perturbative control throughout (e.g., with temperature much less than the string scale and string coupling $g_s \ll 1$ at all times). The cyclic evolution is governed by standard dilaton-gravity in $(3+1)$-dimensions with a perturbatively generated potential and a coupling between the dilaton and a second field that becomes massless at $ϕ= ϕ_{ESP}$, resulting in an enhanced symmetry point (ESP) that prevents the dilaton from running all the way to zero coupling. A central role is played by instant folded strings (IFSs) - fundamental strings with the unusual property of being much lighter than the string mass while extending far beyond the string length, and violating the Null Energy Condition (NEC). IFSs are produced classically when the string coupling grows with time, which occurs at two critical points in each cycle. In turn, they fulfill a dual function: enabling cosmological bounces and initiating transient epochs of dark-energy domination that naturally transition into slow contraction. The resulting cosmology eliminates the cosmic singularity and multiverse problems of big bang inflationary models and robustly predicts time-varying IFS-induced dark energy and the absence of primordial B-mode polarization in the cosmic microwave background.

Cosmology and Nongalactic Astrophysics (astro-ph.C↗
DOE OSTI2022

Theory of the Kitaev model in a [111] magnetic field

Recent numerical studies indicate that the antiferromagnetic Kitaev honeycomb lattice model undergoes a magnetic-field-induced quantum phase transition into a new spin-liquid phase. This intermediate-field phase has been previously characterized as a gapless spin liquid. By implementing a recently developed variational approach based on the exact fractionalized excitations of the zero-field model, we demonstrate that the field-induced spin liquid is gapped and belongs to Kitaev’s 16-fold way. Specifically, the low-field non-Abelian liquid with Chern number C = ±1 transitions into an Abelian liquid with C = ±4. The critical field and the field-dependent behaviors of key physical quantities are in good quantitative agreement with published numerical results. Furthermore, we derive an effective field theory for the field-induced critical point which readily explains the ostensibly gapless nature of the intermediate-field spin liquid.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Topological Hall effect and magnetic states in the Nowotny chimney ladder compound Cr 11 Ge 19

In this report, we have investigated the magnetic and charge transport properties of single crystals of the Nowotny chimney ladder compound Cr 11 Ge 19 and mapped out a comprehensive phase diagram reflecting the complicated interplay between the Dzyaloshinskii-Moriya (DM) interaction, the dipolar interaction, and the magnetic anisotropy. We have identified a set of interesting magnetic phases and attributed a finite topological Hall effect to the recently discovered biskyrmion phase. These data also suggest the existence of an antiskyrmion state at finite fields for temperatures just below the magnetic ordering temperature T c as indicated by a distinct change in sign of the topological Hall effect. Above T c , we discovered a region of enhanced magnetic response corresponding to a disordered phase likely existing near the ferromagnetic critical point under small magnetic fields. Strong spin chirality fluctuations are demonstrated by the large value of the topological Hall resistivity persisting up to 1 T, which is most likely due to the existence of the DM interaction. We argue that changes to the topological Hall effect correspond to different topological spin textures that are controlled by magnetic dipolar and DM interactions that vary in importance with temperature

36 MATERIALS SCIENCE↗
DOE OSTI2020

State preparation and measurement in a quantum simulation of the $O(\mathrm{3})$ sigma model

Recently, Singh and Chandrasekharan [Phys. Rev. D 100, 054505 (2019)] showed that fixed points of the nonlinear O ( 3 ) sigma model can be reproduced near a quantum phase transition of a spin model with just two qubits per lattice site. In a paper by the NuQS Collaboration [Phys. Rev. Lett. 123, 090501 (2019)], the proposal is made to simulate such field theories on a quantum computer using the universal properties of a similar model. In this paper, following that direction, we demonstrate how to prepare the ground state of the model from Singh and Chandrasekharan and measure a dynamical quantity of interest, the O ( 3 ) Noether charge, on a quantum computer. In particular, we apply Trotter methods to obtain results for the complexity of adiabatic ground state preparation in both the weak-coupling and quantum-critical regimes and use shadow tomography to measure the dynamics of local observables. Finally, we then present and analyze a quantum algorithm based on nonunitary randomized simulation methods that may yield an approach suitable for intermediate-term noisy quantum devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1983

Rate processes in gas phase

Reaction-rate theory and experiment are given a critical review from the engineers' point of view. Rates of heavy-particle, collision-induced reaction in gas phase are formulated in terms of the cross sections and activation energies for reaction. The effect of cross section function shape and of excited state contributions to reaction both cause the slope of Arrhenius plots to differ from the true activation energy, except at low temperature. The master equations for chemically reacting gases are introduced, and dissociation and ionization reactions are shown to proceed primarily from excited states about kT from the dissociation or ionization limit. Collision-induced vibration, vibration-rotation, and pure rotation transitions are treated, including three-dimensional effects and conservation of energy, which have usually been ignored. The quantum theory of transitions at potential surface crossing is derived, and results are found to be in fair agreement with experiment in spite of some questionable approximations involved.

Hansen, C. F.↗
DOE OSTI2022

Control of electronic topology in a strongly correlated electron system

It is becoming increasingly clear that breakthrough in quantum applications necessitates materials innovation. In high demand are conductors with robust topological states that can be manipulated at will. This is what we demonstrate in the present work. We discover that the pronounced topological response of a strongly correlated “Weyl-Kondo” semimetal can be genuinely manipulated—and ultimately fully suppressed—by magnetic fields. We understand this behavior as a Zeeman-driven motion of Weyl nodes in momentum space, up to the point where the nodes meet and annihilate in a topological quantum phase transition. The topologically trivial but correlated background remains unaffected across this transition, as is shown by our investigations up to much larger fields. Our work lays the ground for systematic explorations of electronic topology, and boosts the prospect for topological quantum devices.

36 MATERIALS SCIENCE↗