SEARCH · Engineering Papers

Results for “stabilizer states”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 649 records · Page 36

All sources NASA NTRS DOE OSTI

DOE OSTI2022

A scalable solid-state nanoporous network with atomic-level interaction design for carbon dioxide capture

Carbon capture and sequestration reduces carbon dioxide emissions and is critical in accomplishing carbon neutrality targets. Here, we demonstrate new sustainable, solid-state, polyamine-appended, cyanuric acid–stabilized melamine nanoporous networks (MNNs) via dynamic combinatorial chemistry (DCC) at the kilogram scale toward effective and high-capacity carbon dioxide capture. Polyamine-appended MNNs reaction mechanisms with carbon dioxide were elucidated with double-level DCC where two-dimensional heteronuclear chemical shift correlation nuclear magnetic resonance spectroscopy was performed to demonstrate the interatomic interactions. We distinguished ammonium carbamate pairs and a mix of ammonium carbamate and carbamic acid during carbon dioxide chemisorption. The coordination of polyamine and cyanuric acid modification endows MNNs with high adsorption capacity (1.82 millimoles per gram at 1 bar), fast adsorption time (less than 1 minute), low price, and extraordinary stability to cycling by flue gas. This work creates a general industrialization method toward carbon dioxide capture via DCC atomic-level design strategies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Solar-Thermal Ammonia Production Via a Nitride Looping Cycle [Slides]

Solar Thermal Ammonia Production has the potential to synthesize ammonia in a green, renewable process that can greatly reduce the carbon footprint left by conventional Haber-Bosch reaction. Ternary nitrides in the family A 3 B x N (A=Co, Ni, Fe; B=Mo; x=2,3) have been identified as a potential candidate for NH 3 production. Experiments with Co 3 Mo 3 N in Ammonia Synthesis Reactor demonstrate cyclable NH 3 production from bulk nitride under pure H 2 . Production rates were fairly flat in all the reduction steps with no evident dependence on the consumed solid-state nitrogen, as would be expected from catalytic Mars-van Krevelen mechanism. Material can be re-nitridized under pure N 2 . Bulk nitrogen per reduction step average between 25 – 40% of the total solid-state nitrogen. Selectivity to NH 3 stabilized at 55 – 60% per cycle. Production rates (NH 3 and N 2 ) become apparent above 600 °C at P(H 2 ) = 0.5 – 2 bar. Optimal point of operation to keep selectivity high without compromising NH 3 rates currently estimated at 650 °C and 1.5 - 2 bar. The next steps are to optimize production rates, examine effect of N 2 addition in NH 3 synthesis reaction, and test additional ternary nitrides.

14 SOLAR ENERGY↗

DOE OSTI2025

Dissipative Phase Transition in the Two-Photon Dicke Model

We explore the dissipative phase transition of the two-photon Dicke model, a topic that has garnered significant attention recently. Our analysis reveals that while single-photon loss does not stabilize the intrinsic instability in the model, the inclusion of two-photon loss restores stability, leading to the emergence of superradiant states, which coexist with the normal vacuum states. Using a second-order cumulant expansion for the photons, we derive an analytical description of the system in the thermodynamic limit, which agrees well with the exact calculation results. Additionally, we present the Wigner function for the system, shedding light on the breaking of the 𝑍4 symmetry inherent in the model. These findings offer valuable insights into stabilization mechanisms in open quantum systems and pave the way for exploring complex nonlinear dynamics in two-photon Dicke models.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

Hierarchical Power Flow Control in Smart Grids: Enhancing Rotor Angle and Frequency Stability with Demand-Side Flexibility

Large-scale integration of renewables in power systems gives rise to new challenges for keeping synchronization and frequency stability in volatile and uncertain power flow states. To ensure the safety of operation, the system must maintain adequate disturbance rejection capability at the time scales of both rotor angle and system frequency dynamics. This calls for flexibility to be exploited on both the generation and demand sides, compensating volatility and ensuring stability at the two separate time scales. This article proposes a hierarchical power flow control architecture that involves both transmission and distribution networks as well as individual buildings to enhance both small-signal rotor angle stability and frequency stability of the transmission network. The proposed architecture consists of a transmission-level optimizer enhancing system damping ratios, a distribution-level controller following transmission commands and providing frequency support, and a building-level scheduler accounting for quality of service and following the distribution-level targets. Furthermore, we validate the feasibility and performance of the whole control architecture through real-time hardware-in-loop tests involving real-world transmission and distribution network models along with real devices at the Stone Edge Farm Microgrid.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2025

Pulling Order Back from the Brink of Disorder: Observation of a Nodal-Line Spin Liquid and Fluctuation Stabilized Order in K 2 ⁢IrCl 6

Competing interactions in frustrated magnets can give rise to highly degenerate ground states from which correlated liquidlike states of matter often emerge. The scaling of this degeneracy influences the ultimate ground state, with extensive degeneracies potentially yielding quantum spin liquids, while subextensive or smaller degeneracies yield static orders. A long-standing problem is to understand how ordered states precipitate from this degenerate manifold and what echoes of the degeneracy survive ordering. Here, we use neutron scattering to experimentally demonstrate a new “nodal-line” spin liquid, where spins collectively fluctuate within a subextensive manifold spanning one-dimensional lines in reciprocal space. Realized in the spin-orbit-coupled, face-centered-cubic iridate K 2 ⁢IrCl 6 , we show that the subextensive degeneracy is robust, but remains susceptible to fluctuations or longer-range interactions which cooperate to select a magnetic order at low temperatures. Proximity to the nodal-line spin liquid influences the ordered state, enhancing the effects of quantum fluctuations that in turn act to stabilize the sublattice magnetization through the self-consistent opening of a large spin-wave gap. Our results demonstrate how quantum fluctuations can act counterintuitively in frustrated materials: Even in a case where fluctuations are ineffective at selecting an ordered state from a degenerate manifold, at the brink of the nodal spin liquid, they can act to protect the ordered state and dictate its low-energy physics.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Predicting synthetic mRNA stability using massively parallel kinetic measurements, biophysical modeling, and machine learning

Abstract mRNA degradation is a central process that affects all gene expression levels, though it remains challenging to predict the stability of a mRNA from its sequence, due to the many coupled interactions that control degradation rate. Here, we carried out massively parallel kinetic decay measurements on over 50,000 bacterial mRNAs, using a learn-by-design approach to develop and validate a predictive sequence-to-function model of mRNA stability. mRNAs were designed to systematically vary translation rates, secondary structures, sequence compositions, G-quadruplexes, i-motifs, and RppH activity, resulting in mRNA half-lives from about 20 seconds to 20 minutes. We combined biophysical models and machine learning to develop steady-state and kinetic decay models of mRNA stability with high accuracy and generalizability, utilizing transcription rate models to identify mRNA isoforms and translation rate models to calculate ribosome protection. Overall, the developed model quantifies the key interactions that collectively control mRNA stability in bacterial operons and predicts how changing mRNA sequence alters mRNA stability, which is important when studying and engineering bacterial genetic systems.

Cetnar, Daniel P.↗

DOE OSTI2026

Thermal property characterization of phase change materials in building applications: A systematic review of fundamentals, recent progress, and future directions

Phase change materials (PCMs) can reduce building peak loads and enable demand-responsive thermal energy storage (TES), but their deployment depends on reliable measurement and interpretation of thermal properties across laboratory, intermediate, and application scales. Here, this review systematically examines characterization methods, testing protocols, and recent advances for neat PCMs and PCM composites, emphasizing thermal conductivity, enthalpy-related properties (phase change temperature, latent heat, specific heat), and cycling stability. For thermal conductivity, we compare steady-state and transient techniques and note limitations when phase transition and contact resistance affect measurements. For enthalpy–temperature characterization, we discuss differential scanning calorimetry together with intermediate- and bulk-scale methods, including T-history, heat flow meter testing, and three-layer calorimetry (3LC), to generate application-relevant enthalpy–temperature profiles. Cycling stability is organized into four experimental families: thermoelectric–air, fully thermoelectric, water-bath, and in situ chamber approaches, with attention to separating reversible supercooling from true degradation such as phase segregation. We highlight emerging noncontact diagnostics, including infrared thermography and embedded sensing, for spatially resolved validation and multiscale interpretation. Finally, we review the growing use of AI and machine learning for property prediction, inverse characterization from experimental signals, and real-time state estimation in building-integrated TES. Key needs include harmonized protocols, interlaboratory benchmarking, uncertainty reporting, and metadata-rich datasets to accelerate reproducible PCM qualification for grid-flexible buildings.

AI↗

DOE OSTI2024

Thermodynamic stability of a spin microemulsion in Rashba spin-orbit-coupled bosons

Recent finite-temperature numerical simulations have unveiled a quantum “spin” microemulsion analog, found by raising the temperature of a stripe supersolid phase in a Rashba spin-orbit coupled Bose gas. This microemulsion state is a highly correlated, isotropic normal fluid where atoms self-arrange based on their internal pseudospin into patterns that resemble bicontinuous microemulsions. This finding leaves several open questions regarding the broader accessibility of this phase in experiments. Here, we use equilibrium finite-temperature numerical simulations based on a coherent-state path integral representation to perform a computational investigation into the thermodynamic stability of the spin microemulsion state. Numerical simulations emphasize the requirement of a nearly, but not perfectly, isotropic spin-orbit coupling in order to achieve the microemulsion phase in cold-atom experiments. Moreover, the microemulsion state exists independent of miscibility of the pseudospin components and for a wide range of pseudospin population imbalance, suggesting a high degree of flexibility in choosing the atom and hyperfine states in an experimental realization. Lastly, we demonstrate this feasibility by mimicking a Rashba spin-orbit-coupled 87 Rb experiment in an isotropic harmonic trap, where we confirm the microemulsion's existence via its density profile and equilibrium quasimomentum distribution.

Complex Langevin dynamics↗

DOE OSTI2024

A tetrahedral neptunium(V) complex

Neptunium is an actinide element sourced from anthropogenic production, and, unlike naturally abundant uranium, its coordination chemistry is not well developed in all accessible oxidation states. High-valent neptunium generally requires stabilization from at least one metal–ligand multiple bond, and departing from this structural motif poses a considerable challenge. Here we report a tetrahedral molecular neptunium(V) complex ([Np 5+ (NPC) 4 ][B(ArF 5 ) 4 ], 1-Np) (NPC = [NP t Bu(pyrr) 2 ] − ; t Bu = C(CH 3 ) 3 ; pyrr = pyrrolidinyl (N(C 2 H 4 ) 2 ); B(ArF 5 ) 4 = tetrakis(2,3,4,5,6-pentafluourophenyl)borate). Single-crystal X-ray diffraction, solution-state spectroscopy and density functional theory studies of 1-Np and the product of its proton-coupled electron transfer (PCET) reaction, 2-Np, demonstrate the unique bonding that stabilizes this reactive ion and establishes the thermochemical and kinetic parameters of PCET in a condensed-phase transuranic complex. The isolation of this four-coordinate, neptunium(V) complex reveals a fundamental reaction pathway in transuranic chemistry.

coordination chemistry↗

DOE OSTI2024

Electron– K -phonon interaction in twisted bilayer graphene

We develop an analytic theory to describe the interaction between electrons and K phonons and study its influence on superconductivity in the bare bands of twisted bilayer graphene (TBG). We find that, due to symmetry and the two-center approximation, only one optical K phonon (160meV) of graphene is responsible for the intervalley electron-phonon interaction. Here, this phonon has recently been found in angular-resolved photoemission spectroscopy to be responsible for replicas of the TBG flat bands. By projecting the interaction to the TBG flat bands, we perform the full symmetry analysis of the phonon-mediated attractive interaction and pairing channels in the Chern basis, and show that several channels are guaranteed to have gapless order parameters. From the linearized gap equations, we find that the highest T c pairing induced by this phonon is a singlet gapped s-wave inter-Chern-band order parameter, followed closely by a gapless nematic d-wave intra-Chern-band order parameter. We justify these results analytically, using the topological heavy-fermion mapping of TBG which has allowed us to obtain an analytic form of a phonon-mediated attractive interaction and to analytically solve the linearized and T = 0 gap equations. For the intra-Chern-band channel, the nematic state with nodes is shown to be stabilized in the chiral flat-band limit. While the flat-band Coulomb interaction can be screened sufficiently enough—around the Van Hove singularities—to allow for electron-phonon based superconductivity, it is unlikely that this effect can be maintained in the lower density of states excitation bands around the correlated insulator states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2020

Termination switching of antiferromagnetic proximity effect in topological insulator

This work reports the ferromagnetism of topological insulator, (Bi,Sb) 2 Te 3 (BST), with a Curie temperature of approximately 120 K induced by magnetic proximity effect (MPE) of an antiferromagnetic CrSe. The MPE was shown to be highly dependent on the stacking order of the heterostructure, as well as the interface symmetry: Growing CrSe on top of BST results in induced ferromagnetism, while growing BST on CrSe yielded no evidence of an MPE. Cr-termination in the former case leads to double-exchange interactions between Cr 3+ surface states and Cr 2+ bulk states. This Cr 3+ -Cr 2+ exchange stabilizes the ferromagnetic order localized at the interface and magnetically polarizes the BST Sb band. In contrast, Se-termination at the CrSe/BST interface yields no detectable MPE. These results directly confirm the MPE in BST films and provide critical insights into the sensitivity of the surface state.

42 ENGINEERING↗

DOE OSTI2026

Recent Weakening of the Global Radiative Feedback

Earth's climate stability, characterized by the global radiative feedback parameter (𝜆), varies decadally due to changing surface temperature patterns. Recent variations in 𝜆 are poorly understood as coordinated model simulations typically end in 2014. We apply a convolutional neural network trained on climate model simulations to observation-based surface temperature reconstructions to estimate variations in 𝜆 up to 2025. We find that 𝜆 reached a minimum (maximum stability) around the mid 1990s (𝜆 ≃ −3 Wm −2 /K), but has since weakened significantly (𝜆 ≃ −2 Wm −2 /K). We confirm these results with climate model simulations extended to 2022. The recent 𝜆 weakening is not significantly affected by El Niño Southern Oscillation or Pacific Decadal Oscillation. Attribution reveals that warming in the subtropical Northeast Pacific is an important driver of the recently weakened feedback, confirmed by targeted experiments in E3SMv2. Our approach enables near real-time monitoring of Earth's climate stability.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Anti-site defect-induced disorder in compensated topological magnet MnBi2-xSbxTe4

Abstract The gapped Dirac-like surface states of compensated magnetic topological insulator MnBi 2-x Sb x Te 4 (MBST) are a promising host for exotic quantum phenomena such as the quantum anomalous Hall effect and axion insulating state. However, it has become clear that atomic defects undermine the stabilization of such quantum phases as they lead to spatial variations in the surface state gap and doping levels. The large number of possible defect configurations in MBST make studying the influence of individual defects virtually impossible. Here, we present a statistical analysis of the nanoscale effect of defects in MBST with x =0.64, by scanning tunnelling microscopy/spectroscopy. We identify (Bi,Sb) Mn anti-site defects to be the main source of the observed doping fluctuations, leading towards the formation of nanoscale charge puddles and effectively closing the transport gap. Our findings will guide further optimization of this material system via defect engineering, to enable exploitation of its promising properties.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Hidden transformations in entropy-stabilized oxides

We report entropy-stabilized oxides (ESO) display a reversible entropy-driven phase transformation that can be leveraged to produce a continuum of metastable phase states, allowing for property optimization and novel functionalities. X-ray absorption spectroscopy reveals that entropic stabilization extends to the electronic structure (valence state and cation coordination) in sintered (Co,Cu,Mg,Ni,Zn)O, manifesting as a tunable lattice distortion in the entropy-stabilized phase. Co, Cu, and Zn ions reversibly transform from six-fold to four-fold coordinated structures and from low to high valence states due to the competition between electronic structures that are equilibrium and enthalpy-driven or metastable and entropy-driven. The segregation of a Cu-rich tenorite phase and a Co-rich spinel phase influences the electronic structure evolution. ESOs can adjust their electronic structures through heat treatment, providing a powerful tool for developing functional properties. These results indicate that the definition of entropy stabilization should include entropy-stabilized electronic structures, providing motivation to reassess previously studied HEO materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Effects of stabilizer strength on the delamination strength of ReBCO coated conductors

Delamination strengths (DSs) of ReBCO tapes were evaluated using a transverse tensile anvil test. This study first demonstrated that the electromechanical DS is nearly equivalent to the purely mechanical DS for ReBCO tapes exhibiting abrupt delamination behavior. Mechanical DS was then examined for tapes with and without stabilizer edges to assess the influence of stabilizer strength. Scanning electron microscopy/energy-dispersive x-ray spectroscopy analysis revealed the delamination sites and crack propagation in ReBCO tapes. Further investigation revealed that the DS of ReBCO tapes is primarily determined by two factors: (1) interfacial bonding strength between the layers and (2) mechanical strength of the stabilizer edges. These findings point to a potential approach to enhancing DS by increasing the strength of the stabilizer (e.g. by optimizing the Cu electroplating process).

Cu stabilizer↗

DOE OSTI2022

Estimation of process steady state with autoregressive models and Bayesian inference

To improve efficiency, separations engineers will typically design process circuits containing recirculating streams, which mix one or more of the process outputs with the feed material. Doing so can improve efficiency, but will cause a delay in the system reaching steady state conditions until the recirculating load mass flows stabilize. In testing separation circuits, engineers will often test a variety of factors and complete an analysis from sample results. Knowledge of if a process is at steady state, as well as the steady state conditions of a process, is essential for a valid techno-economic analysis. However, the definition of process steady state is often poorly defined, or does not include uncertainty quantification. If the performance of a process operating under two different sets of conditions are compared, an engineer who does not test for steady state or quantify steady state conditions risks producing a faulty analysis. In this work, a Bayesian statistical method for testing if all streams are at steady state is further motivated and then derived. Then after testing for steady state, the same model is used with a prior distribution that enforces a steady state assumption to estimate steady state conditions. Further, these methods were validated in a solvent extraction pilot plant where steady state conditions for all outflows were inferred with uncertainty quantification. Analysis is completed with functions available to the reader as part of the BayesMassBal (V 1.1.0) software package written in R.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2021

Peierls transition, ferroelectricity, and spin-singlet formation in monolayer VOI 2

Using ab initio density functional theory and single-orbital Hubbard model calculations via the density matrix renormalization group method, we systematically studied the monolayer VOI 2 with a 3d 1 electronic configuration. Our phonon calculations indicate that the orthorhombic Pmm2 FE-II phase is the most likely ground state, involving a ferroelectric (FE) distortion along the a axis and V-V dimerization along the b axis. Specifically, the “pseudo Jahn-Teller” effect caused by the coupling between empty V (d xz/yz and d 3z 2 -r 2 ) and O 2p states is proposed as the mechanism that stabilizes the FE distortion from the paraelectric phase. Moreover, the half-filled metallic d xy band displays a Peierls instability along the b axis, inducing a V-V dimerization. Additionally, we found very short-range antiferromagnetic coupling along the V-V chain due to the formation of nearly decoupled spin singlets in the ground state.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2026

Radiative Electronic Bound States in the Continuum from Defects in Semiconductors

Continuum-buried defect states in semiconductors are generally expected to be optically inactive because of their strong coupling to continuum bands. Here, we show that such defects can instead host radiative electronic bound states in the continuum (BICs) using the silicon G center as a prototypical example. Hybrid functional first-principles calculations with a Hubbard U correction reveal that a localized defect state, initially buried below the valence band maximum (VBM) in the ground state, undergoes exchange-driven energy-level reordering under optical excitation and shifts above the VBM. This exchange-induced transition suppresses nonradiative decay and enables a robust radiative emission. By computing temperature-dependent nonradiative lifetimes and comparing them to experimental photoluminescence (PL) lifetimes, we quantitatively reproduce the observed temperature dependence of the emission. These results uncover a stabilization mechanism for continuum-embedded defect states and establish electronic BICs as a general paradigm for designing defect-based optical systems, including quantum emitters and qubits.

Hong, SeongYun↗