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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 1,297 records · Page 72
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Janus Superiority of Membranes in Chemical Engineering and Beyond

Janus configurations, characterized by their inherent asymmetry, enable directional mass transfer in membrane materials that drive novel and energy-efficient chemical processes. This Janus superiority spans applications from nanoscale molecular and ionic transport to macro-scale separation systems with asymmetric spatial architectures. This review provides an analysis of the material foundations including design principles, structure regulation, and scalability challenges underlying Janus membranes. Here, we explore the physics that governs their unique behavior and examine their diverse applications across chemical engineering, including phase transfer, and molecular or ionic transport. Through a multiscale perspective, we provide a comprehensive understanding of the impact of Janus superiority in advancing chemical engineering technologies. Finally, we discuss the hurdles in translating theoretical advances into practical applications and propose promising avenues for future research to harness the full potential of Janus membranes and systems in addressing global challenges related to energy, sustainability, and beyond.

Yang, Hao‐Cheng [Zhejiang University, Hangzhou (Ch↗
DOE OSTI2024

Chiral Electrokinetic Phenomena in Single Nanopores

Abstract The arrangement of solvent molecules and ions at solid–liquid interfaces determines electrochemical properties that are important in separations platforms, sensing technologies, and energy‐storage systems. Here we show that single glass and polymer pores in contact with propylene carbonate (PC) solutions of LiClO 4 exhibit an effective surface potential that is modulated by the enantiomeric excess of the solvent. In particular, electrochemical and electrokinetic measurements of ionic transport through glass pipettes and polymer pores reveal that the effective surface potential is significantly lower in solutions prepared using enantiomerically pure PC than in solutions prepared using racemic PC. Both pore systems became positively charged in all racemic solutions examined in the range of LiClO 4 concentrations between 1 mM and 100 mM, whereas solutions in ( R )‐(+)‐PC induced a positive surface potential only at concentrations above ~5 mM. The effective surface potential is quantified through asymmetry in current–voltage curves and zeta‐potential measurements. Vibrational sum‐frequency‐generation experiments on LiClO 4 solutions in racemic and enantiomerically pure PC indicate that the surface lipid‐bilayer‐like region in the former is more strongly organized than in the latter, dictating the favorable positions for lithium and perchlorate ions in each case. The more ordered molecular packing in the racemic liquid leads to accumulation of lithium ions on the outside of the bilayer, creating a higher effective positive charge. Our results highlight the extreme sensitivity of the interfacial potential on molecular organization of the solvent, and the relatively unexplored role that chirality can play in electrokinetic phenomena.

Alanis, Kristen↗
DOE OSTI2022

On phosphorus chemical shift anisotropy in metal (IV) phosphates and phosphonates: A 31 P NMR experimental study

The phosphorus chemical shift anisotropies, 31 PΔcs, and asymmetry parameters η were measured by the 31 P{ 1 H} NMR experiments in static and low-frequency spinning samples of the zirconium phosphates and phosphonates and also in the mixed Zr (IV)/Sn (IV) phosphate/phosphonate material. The data obtained have shown a 111 connectivity in the HPO 4 and PO 3 groups, which does not change at modification and intercalation of the materials. The 31 PΔcs values of the phosphonate groups (43–49 ppm) significantly surpass the values characterizing the HPO 4 groups (23–37 ppm). The 31 P Δcs values obtained for the metal (IV) phosphates were discussed in terms of P-O distances. Finally, the 31 P chemical shift anisotropy parameters can help at elucidation of local structures in phosphate and phosphonate materials.

1H MAS NMR↗
DOE OSTI2019

Improved reconstruction stability for chemical shift encoded hyperpolarized 13 C magnetic resonance spectroscopic imaging using k‐t spiral acquisitions

Purpose A multiecho, field of view (FOV)‐oversampled k‐t spiral acquisition and direct iterative decomposition of water and fat with echo asymmetry and least‐squares estimation reconstruction is demonstrated to improve the stability of hyperpolarized 13 C magnetic resonance spectroscopic imaging (MRSI) in the presence of signal ambiguities attributed to low‐SNR (signal‐to‐noise‐ratio) species, local uncertainties in metabolite peaks, and echo‐to‐echo signal inconsistencies. Theory k‐t spiral acquisitions redistribute readout points to be more densely spaced radially in k‐space by acquiring an FOV and matrix that are oversampled by η . These more densely spaced spiral turns constitute effective intraspiral echoes and can supplement conventional interspiral echoes to improve spectral separation and reduce spectral cross‐talk to better resolve 13 C‐labeled species for spectroscopic imaging. Methods Digital simulations and imaging phantom experiments were performed for a range of interspiral echo spacings and η using multiecho, k‐t spiral acquisitions. Image spectral cross‐talk artifacts were evaluated both qualitatively and quantitatively as the percent error in measured metabolite ratios. In vivo murine experiments evaluated the feasibility of multiecho, k‐t spiral [1‐ 13 C]pyruvate MRSI to reduce spectral cross‐talk for 3 scenarios of different expected reconstruction stability. Results Digital simulations and imaging phantom experiments both demonstrated reduced or comparable image spectral cross‐talk and percent errors in measured metabolite ratios with increasing η and better choices of echo spacings. In vivo images displayed markedly reduced spectral cross‐talk in lactate images acquired with η = 7 versus η = 1. Conclusion The precision of hyperpolarized 13 C metabolic imaging and quantification in the presence of low‐SNR species, local uncertainties in metabolite resonances, and echo‐to‐echo signal inconsistencies can be improved with the use of FOV‐oversampled k‐t spiral acquisitions.

Macdonald, Erin B.↗
DOE OSTI2024

Quasi-elastic neutron scattering study on dynamically asymmetric polymer blends

Compatibility between polymers with different glass transition temperatures controls the thermomechanical properties of blends. This work explores the segmental dynamics of poly(methyl acrylate) (PMA) chains when they are blended with polymers of different rigidities and miscibility. Inspired by the intriguing dynamic asymmetry of chains within the interfacial layer of nanoparticles, this study aims to understand dynamic heterogeneity in dynamically asymmetric blends of PMA/poly(methyl methacrylate) (PMMA), PMA/polystyrene (PS), and PMA/poly(ethylene oxide) (PEO) using the differential scanning calorimetry (DSC) and quasi-elastic neutron scattering (QENS) measurements below and above the glass transition temperature of PMMA or PS. Further, results revealed that the segmental jump distance of PMA increased on blending due to volume enhancement. The reduced effective diffusivity of PMA in PMMA is attributed to PMMA's enhanced flexibility (lower characteristic ratio, C ∞ ) and superior interaction (lower ) when compared with the PS environment. The results demonstrate that the chain rigidity and miscibility affect the free volume, interchain cooperativity, and segmental dynamics in dynamically asymmetric blends.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Growth Dynamics and Electron Reflectivity in Ultrathin Films of Chiral Heptahelicene on Metal (100) Surfaces Studied by Spin-Polarized Low Energy Electron Microscopy

Interaction of electrons with chiral matter gives rise to interesting phenomena such as the chirality-induced spin selectivity. The interdependence of reflectivity of spin-polarized low energy electrons and the absolute handedness of chiral molecules is investigated. First, the growth of homochiral films of helical aromatic hydrocarbons, so-called helicenes, on a Cu(100) surface is studied by means of low energy electron microscopy and scanning tunneling microscopy in ultrahigh vacuum. As soon as the coverage exceeds one monolayer, double-layer nucleation and growth is favored such that depletion in the first layer occurs. Spatially resolved work function measurements show that second-layer patches have a lower work function than first-layer areas. Reflectivity spectra of spin-polarized electrons do not show any asymmetry between homochiral films of the enantiomers. Laterally resolved work function measurements do not confirm work function differences such as those reported earlier for photoelectron studies of chiral peptide films on ferromagnetic substrates.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Evaluation of the Quasi‐Biennial Oscillation in global climate models for the SPARC QBO‐initiative

Abstract Quasi‐biennial oscillations (QBOs) in thirteen atmospheric general circulation models forced with both observed and annually repeating sea surface temperatures (SSTs) are evaluated. In most models the QBO period is close to, but shorter than, the observed period of 28 months. Amplitudes are within ±20 % of the observed QBO amplitude at 10 hPa, but typically about half of that observed at lower altitudes (50 and 70 hPa). For almost all models, the oscillation's amplitude profile shows an overall upward shift compared to reanalysis and its meridional extent is too narrow. Asymmetry in the duration of eastward and westward phases is reasonably well captured, though not all models replicate the observed slowing of the descending westward shear. Westward phases are generally too weak, and most models have an eastward time mean wind bias throughout the depth of the QBO. The intercycle period variability is realistic and in some models is enhanced in the experiment with observed SSTs compared to the experiment with repeated annual cycle SSTs. Mean periods are also sensitive to this difference between SSTs, but only when parametrized non‐orographic gravity wave (NOGW) sources are coupled to tropospheric parameters and not prescribed with a fixed value. Overall, however, modelled QBOs are very similar whether or not the prescribed SSTs vary interannually. A portrait of the overall ensemble performance is provided by a normalized grading of QBO metrics. To simulate a QBO, all but one model used parametrized NOGWs, which provided the majority of the total wave forcing at altitudes above 70 hPa in most models. Hence the representation of NOGWs either explicitly or through parametrization is still a major uncertainty underlying QBO simulation in these present‐day experiments.

Bushell, A. C.↗
DOE OSTI2026

Side-Chain Nanophase Separation Broadens the Double-Gyroid Stability Window in PS–PODMA Diblock Copolymers

Expanding access to bicontinuous network phases in block copolymers remains an important challenge because the double gyroid (DG) phase is usually stable only within a narrow composition window in conventional diblock copolymers. Here, we show that poly(styrene-block-octadecyl methacrylate) (PS-b-PODMA) exhibits an unusually broad DG window. Small-angle X-ray scattering measurements across a wide composition range reveal lamellar and hexagonally packed cylindrical phases at higher polystyrene fractions. In contrast, the DG phase appears over 0.22 ≤ fPS ≤ 0.35, with DG/BCC and DG/HEX coexistence near fPS = 0.18 and 0.40, respectively. This broad DG window is much wider than those reported for neat diblock copolymers and is not readily explained by conformational asymmetry alone. Wide-angle X-ray scattering detects a characteristic signature of nanophase separation within the PODMA-rich domains, indicating that side-chain ordering introduces an additional internal length scale. These results suggest that hierarchical side-chain nanophase separation modifies packing frustration and curvature selection, thereby broadening DG stability and providing a new molecular design strategy for stabilizing complex network morphologies.

Seko, Tamio↗
DOE OSTI2022

A time‐varying formulation of the curled wake model within the FAST.Farm framework

Abstract In this article, we present a time‐varying formulation of the curled wake model that we implemented in FAST.Farm. The curled wake model, originally developed for steady‐state conditions, is used to produce realistic wake profiles behind a wind turbine in yawed (or skewed) conditions. We begin by introducing the key elements of the FAST.Farm framework. Then, after briefly summarizing the original wake dynamics formulation of FAST.Farm based on a polar wake profile, we present the new time‐varying formulation of the curled wake model, compare the two, and highlight the differences with the original curled wake model. After discussing some implementation details, we present different applications with increasing levels of complexity: single turbine with uniform and turbulent inflow, fixed and transient yaw, and multiple turbines. We verify our results using the original FAST.Farm implementation and large‐eddy simulations. The results with the new curled wake model are improved compared to the original implementation, as they include cross‐flow velocities and wake asymmetry. Yet, large‐eddy simulation results show a more pronounced lateral convection of the wake and a stronger concentration of vorticity at the top vortex. The new curled wake implementation in FAST.Farm should enable the calculation of not only generator power but also wind turbine structural loads for applications involving intentional or unintentional skewed flow and wind‐farm control involving wake steering.

17 WIND ENERGY↗
DOE OSTI2022

Baryogenesis from ultra-slow-roll inflation

The ultra-slow-roll (USR) inflation represents a class of single-field models with sharp deceleration of the rolling dynamics on small scales, leading to a significantly enhanced power spectrum of the curvature perturbations and primordial black hole (PBH) formation. Such a sharp transition of the inflationary background can trigger the coherent motion of scalar condensates with effective potentials governed by the rolling rate of the inflation field. We show that a scalar condensate carrying (a combination of) baryon or lepton number can achieve successful baryogenesis through the Affleck-Dine mechanism from unconventional initial conditions excited by the USR transition. Viable parameter space for creating the correct baryon asymmetry of the Universe naturally incorporates the specific limit for PBHs to contribute significantly to dark matter, shedding light on the cosmic coincidence problem between the baryon and dark matter densities today.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Measurement of the τ lepton polarization in Z boson decays in proton-proton collisions at $ \sqrt{s} $ = 13 TeV

The polarization of τ leptons is measured using leptonic and hadronic τ lepton decays in Z → τ$^{+}$τ$^{−}$ events in proton-proton collisions at $ \sqrt{s} $ = 13 TeV recorded by CMS at the CERN LHC with an integrated luminosity of 36.3 fb$^{−1}$. The measured τ$^{−}$ lepton polarization at the Z boson mass pole is $ {\mathcal{P}}_{\tau}\left(\textrm{Z}\right) $ = −0.144 ± 0.006 (stat) ± 0.014 (syst) = −0.144 ± 0.015, in good agreement with the measurement of the τ lepton asymmetry parameter of A$_{τ}$ = 0.1439 ± 0.0043 = $ -{\mathcal{P}}_{\tau}\left(\textrm{Z}\right) $ at LEP. The τ lepton polarization depends on the ratio of the vector to axial-vector couplings of the τ leptons in the neutral current expression, and thus on the effective weak mixing angle sin$^{2} {\theta}_{\textrm{W}}^{\textrm{eff}} $, independently of the Z boson production mechanism. The obtained value sin$^{2} {\theta}_{\textrm{W}}^{\textrm{eff}} $ = 0.2319 ± 0.0008(stat) ± 0.0018(syst) = 0.2319 ± 0.0019 is in good agreement with measurements at e$^{+}$e$^{−}$ colliders.[graphic not available: see fulltext]

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Notes on the complex Sachdev-Ye-Kitaev model

We describe numerous properties of the Sachdev-Ye-Kitaev model for complex fermions with N $\gg$ 1 flavors and a global U(1) charge. We provide a general definition of the charge in the ( G, Σ) formalism, and compute its universal relation to the infrared asymmetry of the Green function. The same relation is obtained by a renormalization theory. The conserved charge contributes a compact scalar field to the effective action, from which we derive the many-body density of states and extract the charge compressibility. We compute the latter via three distinct numerical methods and obtain consistent results. Finally, we present a two dimensional bulk picture with free Dirac fermions for the zero temperature entropy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Flavor-dependent radiative corrections in coherent elastic neutrino-nucleus scattering

We calculate coherent elastic neutrino-nucleus scattering cross sections on spin-0 nuclei (e.g. 40 Ar and 28 Si) at energies below 100 MeV within the Standard Model and account for all effects of permille size. We provide a complete error budget including uncertainties at nuclear, nucleon, hadronic, and quark levels separately as well as perturbative error. Our calculation starts from the four-fermion effective field theory to explicitly separate heavy-particle mediated corrections (which are absorbed by Wilson coefficients) from light-particle contributions. Electrons and muons running in loops introduce a non- trivial dependence on the momentum transfer due to their relatively light masses. These same loops, and those mediated by tau leptons, break the flavor universality because of mass-dependent electromagnetic radiative corrections. Nuclear physics uncertainties significantly cancel in flavor asymmetries resulting in subpercent relative errors. We find that for low neutrino energies, the cross section can be predicted with a relative precision that is competitive with neutrino-electron scattering. We highlight potentially useful applications of such a precise cross section prediction ranging from precision tests of the Standard Model, to searches for new physics and to the monitoring of nuclear reactors.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

The Drell-Yan process with pions and polarized nucleons

The Drell-Yan process provides important information on the internal structure of hadrons including transverse momentum dependent parton distribution functions (TMDs). In this work we present calculations for all leading twist structure functions de- scribing the pion induced Drell-Yan process. The non-perturbative input for the TMDs is taken from the light-front constituent quark model, the spectator model, and available parametrizations of TMDs extracted from the experimental data. TMD evolution is implemented at Next-to-Leading Logarithmic precision for the first time for all asymmetries. Our results are compatible with the first experimental information, help to interpret the data from ongoing experiments, and will allow one to quantitatively assess the models in future when more precise data will become available.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Inclusive and differential cross section measurements of single top quark production in association with a Z boson in proton-proton collisions at $ \sqrt{s} $ = 13 TeV

Inclusive and differential cross sections of single top quark production in association with a Z boson are measured in proton-proton collisions at a center-of-mass energy of 13 TeV with a data sample corresponding to an integrated luminosity of 138 fb - 1 recorded by the CMS experiment. Events are selected based on the presence of three leptons, electrons or muons, associated with leptonic Z boson and top quark decays. The measurement yields an inclusive cross section of \( {87.9}_{-7.3}^{+7.5}{\left(\mathrm{stat}\right)}_{-6.0}^{+7.3}\left(\mathrm{syst}\right) \) fb for a dilepton invariant mass greater than 30 GeV, in agreement with standard model (SM) calculations and represents the most precise determination to date. The ratio between the cross sections for the top quark and the top antiquark production in association with a Z boson is measured as \( {2.37}_{-0.42}^{+0.56}{\left(\mathrm{stat}\right)}_{-0.13}^{+0.27}\left(\mathrm{syst}\right) \) . Differential measurements at parton and particle levels are performed for the first time. Several kinematic observables are considered to study the modeling of the process. Results are compared to theoretical predictions with different assumptions on the source of the initial-state b quark and found to be in agreement, within the uncertainties. Additionally, the spin asymmetry, which is sensitive to the top quark polarization, is determined from the differential distribution of the polarization angle at parton level to be 0 . 54 ± 0 . 16 (stat) ± 0 . 06 (syst), in agreement with SM predictions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Anatomy of the electroweak phase transition for dark sector induced baryogenesis

We investigate the electroweak phase transition patterns for a recently proposed baryogenesis model with CP violation originated in the dark sector. The model includes a complex scalar singlet-Higgs boson portal, a U(1) l gauge lepton symmetry with a Z ' gauge boson portal and a fermionic dark matter particle. We find a novel thermal history of the scalar sector, featuring a Z 2 breaking singlet vacuum in the early Universe driven by a dark Yukawa coupling, that induces a one-step strongly first order electroweak phase transition. We explore the parameter space that generates the observed matter-antimatter asymmetry and dark matter relic abundance, while being consistent with constraints from electric dipole moment, collider searches, and dark matter direct detection bounds. The complex singlet can be produced via the Higgs portal and decays into Standard Model particles after traveling a certain distance. We explore the reach for long-lived singlet scalars at the 13 TeV Large Hadron Collider with \( \mathcal{L} \) = 139 fb - 1 and show its impact on the parameter space of the model. Setting aside currently unresolved theoretical uncertainties, we estimate the gravitational wave signatures detectable at future observatories.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Collins-type fragmentation energy correlator in semi-inclusive deep inelastic lepton-hadron scattering

We initiate a systematic study of fragmentation energy correlators (FECs), which generalize traditional fragmentation functions and encode non-perturbative information about transverse dynamics in parton fragmentation processes. We define boost-invariant, non-perturbative FECs and derive a corresponding collinear factorization formula. A spin decomposition of the FECs is carried out, analogous to that of transverse-momentum-dependent fragmentation functions. In this work we focus particularly on the Collins-type quark FEC, which is sensitive to chiral symmetry breaking and characterizes the azimuthal asymmetry in the fragmentation of a transversely polarized quark. We perform a next-to-leading-order calculation of the corresponding hard coefficient in semi-inclusive deep-inelastic scattering for the quark non-singlet component, thereby validating the consistency of our theoretical framework.

Deep Inelastic Scattering or Small-x Physics↗