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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 1,063 records · Page 59

Understanding Reliability Trade-Offs in 1T-nC and 2T-nC FeRAM Designs

Ferroelectric random access memory (FeRAM) is a promising candidate for energy-efficient nonvolatile memory, particularly for logic-in-memory and compute-in-memory (CIM) applications. Among the available cell architectures, One-Transistor–n-Capacitor (1T-nC) and two-transistor–n-capacitor (2T-nC) FeRAMs each offer distinct trade-offs in density, scalability, and reliability. In this work, we present a comparative study of these two architectures under both dimensional scaling ( XY/Z shrinkage) and vertical integration (increasing stacked capacitors per cell). Using technology computer-aided design (TCAD) and circuit-level simulations, we analyze how scaling impacts ferroelectric capacitance, parasitic coupling, and floating-node (FN) dynamics, which together dictate sense margin (SM) and read stability. A key mitigation strategy—floating unselected capacitors—is applied to both architectures, effectively decoupling the SM from the number of stacked capacitors and enabling tractable analysis across scaling regimes. Results show that 1T-nC suffers more from charge sharing with the bitline (BL), while 2T-nC benefits from transistor isolation and stronger low-voltage sensing at the cost of increased area. By systematically evaluating these behaviors across scaling directions, this work establishes the reliability trade-offs of 1T-nC and 2T-nC cells and provides design guidelines for high-density, vertically integrated FeRAM systems.

1T-nC↗

Electrode Mesoscale as a Collection of Particles: Coupled Electrochemical and Mechanical Analysis of NMC Cathodes

Battery electrodes are composed of polydisperse particles and a porous, composite binder domain. These materials are arranged into a complex mesostructure whose morphology impacts both electrochemical performance and mechanical response. We present image-based, particle-resolved, mesoscale finite element model simulations of coupled electrochemical-mechanical performance on a representative NMC electrode domain. Beyond predicting macroscale quantities such as half-cell voltage and evolving electrical conductivity, studying behaviors on a per-particle and per-surface basis enables performance and material design insights previously unachievable. Voltage losses are primarily attributable to a complex interplay between interfacial charge transfer kinetics, lithium diffusion, and, locally, electrical conductivity. Mesoscale heterogeneities arise from particle polydispersity and lead to material underutilization at high current densities. Particle-particle contacts, however, reduce heterogeneities by enabling lithium diffusion between connected particle groups. While the porous composite binder domain (CBD) may have slower ionic transport and less available area for electrochemical reactions, its high electrical conductivity makes it the preferred reaction site late in electrode discharge. Mesoscale results are favorably compared to both experimental data and macrohomogeneous models. This work enables improvements in materials design by providing a tool for optimization of particle sizes, CBD morphology, and manufacturing conditions.

42 ENGINEERING↗

Disentangling High Harmonic Generation from Surface and Bulk States of a Topological Insulator

The discovery of topological phases has introduced a new dimension to materials science. Three-dimensional (3D) topological insulators (TIs) are a remarkable class of matter that is insulating in the bulk while hosting conductive topological surface states (TSSs) with unique charge and spin properties. High-order harmonic generation (HHG) has emerged as a powerful tool to probe condensed matter systems by providing insights into their electronic structure and dynamic behavior. Here, we investigate HHG in the prototype 3D-TI Bi$_2$Se$_3$. We demonstrate that the contributions of bulk and surface states to the harmonic emission can be controlled by tuning the thickness of thin film samples. An ultrathin (6 nm) film substantially enhances HHG from the surface states, while the bulk states dominate HHG in a thicker (50 nm) film. By applying a quasi-static terahertz perturbing field, we disentangle the bulk and surface responses and reveal the significant impact of the surface states' shift vector and Berry curvature on HHG. Our study provides effective methods for isolating the optical responses of TSSs from those of the bulk, which opens the door to resolving an ongoing debate regarding whether it is possible to reliably extract topological signatures in HHG.

Atomic Physics (physics.atom-ph)↗

Ion masking improves resolution in quadrupole mass spectrometers

Mass spectrometers analyze molecular composition by determining mass-to-charge ratio of ion fragments of molecules. Study adds significantly to quantitative understanding of quadrupole mass filter. It includes development of quantitative theory of ion oscillations, computer analysis of ion behavior, and identification of determining factors in peak tail size.

Ierokomos, N.↗

Carbon fiber behavior in an enclosed volume

Tests were performed to evaluate the behavior of single carbon fibers existing in an enclosed space such as a room of a building. Three general phenomena were explored: the concentration decay rate of a fiber-charged room, the degree of uniform mixing of fibers within a room, and the effects of fibers being redisseminated off deposition surfaces within a room. The results were required in understanding the ratio of total indoor fiber exposure to total outdoor fiber exposure, a quantity essential to risk analysis. Results indicate that decay rate is predictable within acceptable limits and that homogeneous mixing can always be assumed. Some factors of redissemination are identified and effects discussed.

Harvey, M. C.↗

Stationarity of magnetohydrodynamic fluctuations in the solar wind

Solar wind research and studies of charged particle propagation often assume that the interplanetary magnetic field represents a stationary random process. The extent to which ensemble averages of the solar wind magnetic fields follow the asymptotic behavior predicted by the ergodic theorem was investigated. Several time periods, including a span of nearly two years, are analyzed. Data intervals which span many solar rotations satisfy the conditions of weak stationarity if the effects of solar rotation are included in the asymptotic analysis. Shorter intervals which include a small integral number of interplanetary sectors also satisfy weak stationarity. The results are illustrated using magnetometer data from the ISEE-3, Voyager and IMP spacecraft.

Matthaeus, W. H.↗

Superfluid-like turbulence in cosmology

A network of vortices in a superfluid system exhibits turbulent behavior. It is argued that the universe may have experienced such a phase of superfluid-like turbulence due to the existence of a coherent state with non-topological charge and a network of global strings. The unique feature of a distribution of turbulent domains is that it can yield non-gravitationally induced large-scale coherent velocities. It may be difficult, however, to relate these velocities to the observed large-scale bulk motion.

Gradwohl, Ben-Ami↗

Behavior Of NbSe3 Cathode In Rechargeable Li Cell

Report discusses series of ac impedance measurements of niobium triselenide cathodes in lithium secondary (rechargeable) cells. Reported work done to improve understanding of intercalation of NbSe3 with Li and to find out whether state of charge of NbSe3 determined nondestructively from impedance parameters. Authors conclude impedance parameters of NbSe3 do not vary in sufficiently regular fashion to be useful as indicators of state of charge.

Bugga, Ratnakumar V.↗

LES of HCCI combustion of iso-octane/air in a flat-piston rapid compression machine

Homogeneous Charge Compression Ignition (HCCI) engines promise better efficiency and cleaner emissions than conventional piston engines, but can be challenging to control. Rapid compression machines (RCM) provide a simplified configuration for investigating HCCI combustion behavior, which is necessary for effective control of engine ignition timing and peak pressures. Here, in this study, we assess the utility of large eddy simulations (LES) for predicting HCCI combustion in a 3-D configuration. To this end, LES with finite-rate chemistry employing a 99-species iso-octane/air mechanism of two RCM operating conditions are performed. The RCM configuration under consideration was designed by Strozzi et al. with a flat piston to introduce large amounts of thermal stratification representative of realistic HCCI engine conditions, through the generation of corner vortices. It is shown that the simulation provides reasonable agreement with temperature fluctuations (7% difference), as well as ignition delay in the short ignition case (1 ms difference), while the long ignition case (35 ms difference) highlights more substantial deficiencies that are still within the expected uncertainty from the employed chemical mechanism. Flame propagation modes predicted by LES agree with experimental observations: spontaneous ignition is seen in the short ignition case, while deflagration is more prominent in the long ignition case. Analysis of global and local quantities classify the short ignition case in a mixed ignition regime, and the long ignition case in the mild ignition regime. These results demonstrate the utility of FRC-LES for investigations of multimode combustion regimes of HCCI combustion in a 3-D configuration.

33 ADVANCED PROPULSION SYSTEMS↗

Model Based Diagnostics and Prognostics Framework for Systems Health Management

In order to tackle and solve the system health prediction problem, it is essential to have awareness of the current state and health of the system, especially since it is necessary to perform condition-based predictions. To be able to accurately predict the future state of any system, it is required to possess knowledge of its current and future operations. Given models of the current and future system behavior, the general approach of model-based prognostics can be employed as a solution to the prior stated prediction problem. In case of electric aircrafts, computing remaining flying time is safety-critical, since an aircraft that runs out of power (battery charge) while in the air will eventually lose control leading to catastrophe. In order to tackle and solve the prediction problem, it is essential to have awareness of the current state and health of the system, especially since it is necessary to perform condition-based predictions. To be able to predict the future state of the system, it is also required to possess knowledge of the current and future operations of the vehicle. This presentation will cover a physics based-modeling approach implemented for case-studies in battery and composite structures for prognostics. Given models of the current and future system behavior, a general approach of model-based prognostics can be employed as a solution to the prediction problem and further for decision making.

Banerjee, Portia↗

Multiple Charge Density Waves and Superconductivity Nucleation at Antiphase Domain Walls in the Nematic Pnictide Ba 1– x Sr x Ni 2 As 2

How superconductivity interacts with charge or nematic order is one of the great unresolved issues at the center of research in quantum materials. Ba 1– x Sr x Ni 2 As 2 (BSNA) is a charge ordered pnictide superconductor recently shown to exhibit a sixfold enhancement of superconductivity due to nematic fluctuations near a quantum phase transition (at $x_c$ = 0.7). The superconductivity is, however, anomalous, with the resistive transition for $0.4 < x < x_c$ occurring at a higher temperature than the specific heat anomaly. Here, using x-ray scattering, we discovered a new charge density wave (CDW) in BSNA in this composition range. The CDWis commensurate with a period of two lattice parameters, and is distinct from the two CDWs previously reported in this material. We argue that the anomalous transport behavior arises from heterogeneous superconductivity nucleating at antiphase domain walls in this CDW. We also present new data on the incommensurate CDW, previously identified as being unidirectional, showing that it is a rotationally symmetric “4$\textit{Q}$” state with $C_4$ symmetry. Our study establishes BSNA as a rare material containing three distinct CDWs, and an exciting test bed for studying coupling between CDW, nematic, and SC orders.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Peptide‐Induced Ferroelectricity in Charge‐Transfer Supramolecular Materials

Organic ferroelectrics are of great interest in sustainable energy conversion, information storage, flexible electronics, and potential biomedical applications as soft implants, among many other applications. Despite their broad potential, the development of organic ferroelectrics has remained limited, with only a few known examples in solid-state systems, primarily due to the lack of well-established design strategies compared to inorganic systems. Bio-inspired supramolecular chemistry offers a path to create functional nanostructures that are water-processable and biocompatible. We report here on supramolecular charge transfer (CT) systems in which peptides are covalently linked to dyads of electron-donating and electron-accepting moieties, creating amphiphiles that self-assemble into nanoscale ribbons in water. The peptide chirality-induced symmetry breaking in these crystalline nanostructures not only results in second harmonic activity but also generates ferroelectric behavior across multiple CT systems, demonstrating a versatile supramolecular approach to the design of new organic ferroelectrics. Furthermore, culturing primary neuron cells on coatings of the ferroelectric materials promoted axonal growth and enhanced action potentials, indicating improved neuronal maturity facilitated by the polar structure of the ferroelectric nanomaterials. The supramolecular strategy used here holds promise to create new water-processable ferroelectric biomaterials, opening avenues for innovative applications in cell charge transfer, neuronal axon growth, peptide symmetry breaking, self-assembling peptides, supramolecular ferroelectrics, proliferation, and bioelectronics.

charge transfer↗

Optical and photoemission investigation of structural and magnetic transitions in the iron-based superconductor Sr 0.67 Na 0.33 Fe 2 As 2

We report the temperature-dependent optical conductivity and angle-resolved photoemission spectroscopy (ARPES) studies of the multiband iron-based superconductor Sr 0.67 Na 0.33 Fe 2 As 2 . Measurements were made in the high-temperature tetragonal paramagnetic phase, below the structural and magnetic transitions at $T_N$ $≃$ 125 K in the orthorhombic spin-density-wave (SDW)-like phase and $T_r$ $≃$42 K in the reentrant tetragonal double-Q magnetic phase where both charge and SDWorder exist, and below the superconducting transition at $T_c$ $≃$ 10 K. The free-carrier component in the optical conductivity is described by two Drude contributions: one strong and broad and the other weak and narrow. The broad Drude component decreases dramatically below TN and Tr , with much of its strength being transferred to a bound excitation in the midinfrared, while the narrow Drude component shows no anomalies at either of the transitions, actually increasing in strength at low temperature while narrowing dramatically. The behavior of an infrared-active mode suggests zone folding below Tr. Below Tc the dramatic decrease in the low-frequency optical conductivity signals the formation of a superconducting energy gap. ARPES reveals holelike bands at the center of the Brillouin zone (BZ), with both electron- and holelike bands at the corners. Below $T_N$, the hole pockets at the center of the BZ decrease in size, consistent with the behavior of the broad Drude component; however, below $T_r$ the electronlike bands shift and split, giving rise to a low-energy excitation in the optical conductivity at $≃$20 meV. The $C_2$ and $C_4$ magnetic states, with resulting spin-density-wave and charge-SDW order, respectively, lead to a significant reconstruction of the Fermi surface that has profound implications for the transport originating from the electron and hole pockets but appears to have relatively little impact on the superconductivity in this material.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

An experimental study of the behavior of a high efficiency residential heat pump in cooling mode with common installation faults imposed

Faults are believed to be common in split system air-conditioner and heat pump systems, due to operating degradation or installation problems. Common faults include improper refrigerant charge, reduced evaporator airflow, liquid line restrictions, and the presence of non-condensable gas. Laboratory tests were used to quantify fault impacts on performance of a heat pump system, and impacts on indicator variables such as refrigerant temperatures and pressures. This paper describes a large set of laboratory tests implemented on a high efficiency heat pump operating in cooling mode. This system uses R-410A refrigerant and has a rotary compressor, TXV, two accumulators, and a compensator. A small number of previous experimental studies have been done previously to study the effects of some operating faults, but none has examined a modern system with these components. The tests were conducted with a range of fault intensities and driving conditions. The results are compared to previous researchers’ experimental results. The system’s performance was found to be quite robust in the presence of faults. The TXV, accumulators, and compensator significantly reduce sensitivity to refrigerant charge and liquid line restriction faults, and other faults to a lesser extent.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Building bases of loop integrands

We describe a systematic approach to the construction of loop-integrand bases at arbitrary loop-order, sufficient for the representation of general quantum field theories. We provide a graph-theoretic definition of ‘power-counting’ for multi-loop integrands beyond the planar limit, and show how this can be used to organize bases according to ultraviolet behavior. This allows amplitude integrands to be constructed iteratively. We illustrate these ideas with concrete applications. In particular, we describe complete integrand bases at two loops sufficient to represent arbitrary-multiplicity amplitudes in four (or fewer) dimensions in any massless quantum field theory with the ultraviolet behavior of the Standard Model or better. We also comment on possible extensions of our framework to arbitrary (including regulated) numbers of dimensions, and to theories with arbitrary mass spectra and charges. At three loops, we describe a basis sufficient to capture all ‘leading-(transcendental-)weight’ contributions of any four-dimensional quantum theory; for maximally supersymmetric Yang-Mills theory, this basis should be sufficient to represent all scattering amplitude integrands in the theory — for generic helicities and arbitrary multiplicity.

1/NExpansion↗

QCD running couplings and effective charges

Here we discuss our present knowledge of $\alpha_s$, the fundamental running coupling or effective charge of Quantum Chromodynamics (QCD). A precise understanding of the running of $\alpha_s(Q^2) $ at high momentum transfer, $Q$, is necessary for any perturbative QCD calculation. Equally important, the behavior of $\alpha_s$} at low $Q^2$ in the nonperturbative QCD domain is critical for understanding strong interaction phenomena, including the emergence of mass and quark confinement. The behavior of $\alpha_s(Q^2)$ at all momentum transfers also provides a connection between perturbative and nonperturbative QCD phenomena, such as hadron spectroscopy and dynamics. We first sketch the origin of the QCD coupling, the reason why its magnitude depends on the scale at which hadronic phenomena are probed, and the resulting consequences for QCD phenomenology. We then summarize latest measurements in both the perturbative and nonperturbative domains. New theory developments include the derivation of the universal nonperturbative behavior of $\alpha_s(Q^2)$ from both the Dyson-Schwinger equations and light-front holography. We also describe theory advances for the calculation of gluon and quark Schwinger functions in the nonperturbative domain and the relation of these quantities to $\alpha_s$. We conclude by highlighting how the nonperturbative knowledge of $\alpha_s$ is now providing a parameter-free determination of hadron spectroscopy and structure, a central and long-sought goal of QCD studies.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Electrochemical reactivity and passivation of organic electrolytes at spinel MgCrMnO 4 cathode interfaces for rechargeable high voltage magnesium-ion batteries

Magnesium transition metal oxides such as MgCr 2−x Mn x O 4 are promising high-voltage and high-capacity cathode materials for rechargeable magnesium batteries (RMBs). Understanding and improving the chemical and electrochemical stability of the cathode–electrolyte interface (CEI) has been the primary technical emphasis to enable this category of cathode materials, which has been significantly underexplored. Herein, in this study, we focus on investigating the fundamental mechanism of parasitic reactions at the charged surface of the high-voltage MgCrMnO 4 model cathode with different organic electrolytes. The aim is to reveal the underlying effect of anions and solvents responsible for the passivation behavior of the cathode by using three exemplary anions: [(CF 3 SO 2 ) 2 N] − (TFSI − ), Al[OC(CF 3 ) 3 ] 4 − (TPFA − ), and [CB 11 H 12 ] − (MC) and three solvents: diglyme (G2), triglyme (G3), and 3-methoxypropylamine (MPA). High precision leakage current measurements during potentiostatic hold reveal that the electrolyte solvent chemistry has a more profound impact than anion's on the passivation of the MgCrMnO 4 cathode surface during deintercalation of Mg 2+ . X-ray photoelectron spectroscopy exhibits the differences in CEI composition. Amine solvents like MPA show poor passivation due to a higher degree of solvent decomposition, while the thin and anion-derived CEI in glyme-based electrolytes is directly linked with the better passivation behavior on the cathode. Furthermore, we leverage the knowledge from these findings to modify the electrolyte structure by adding a solvent additive, with the goal of reducing the parasitic reaction.

25 ENERGY STORAGE↗