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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Collins and Sivers asymmetries in muonproduction of pions and kaons off transversely polarised protons

Measurements of the Collins and Sivers asymmetries for charged pions and charged and neutral kaons produced in semi-inclusive deep-inelastic scattering of high energy muons off transversely polarised protons are presented. The results were obtained using all the available COMPASS proton data, which were taken in the years 2007 and 2010. The Collins asymmetries exhibit in the valence region a non-zero signal for pions and there are hints of non-zero signal also for kaons. The Sivers asymmetries are found to be positive for positive pions and kaons and compatible with zero otherwise.

Adolph, C.↗
DOE OSTI2021

Accurate simulation of surfaces and interfaces of ten FCC metals and steel using Lennard–Jones potentials

Abstract The earlier integration of validated Lennard–Jones (LJ) potentials for 8 fcc metals into materials and biomolecular force fields has advanced multiple research fields, for example, metal–electrolyte interfaces, recognition of biomolecules, colloidal assembly of metal nanostructures, alloys, and catalysis. Here we introduce 12-6 and 9-6 LJ parameters for classical all-atom simulations of 10 further fcc metals (Ac, Ca (α), Ce (γ), Es (β), Fe (γ), Ir, Rh, Sr (α), Th (α), Yb (β)) and stainless steel. The parameters reproduce lattice constants, surface energies, water interfacial energies, and interactions with (bio)organic molecules in 0.1 to 5% agreement with experiment, as well as qualitative mechanical properties under standard conditions. Deviations are reduced up to a factor of one hundred in comparison to earlier Lennard–Jones parameters, embedded atom models, and density functional theory. We also explain a quantitative correlation between atomization energies from experiments and surface energies that supports parameter development. The models are computationally very efficient and applicable to an exponential space of alloys. Compatibility with a wide range of force fields such as the Interface force field (IFF), AMBER, CHARMM, COMPASS, CVFF, DREIDING, OPLS-AA, and PCFF enables reliable simulations of nanostructures up to millions of atoms and microsecond time scales. User-friendly model building and input generation are available in the CHARMM-GUI Nanomaterial Modeler. As a limitation, deviations in mechanical properties vary and are comparable to DFT methods. We discuss the incorporation of reactivity and features of the electronic structure to expand the range of applications and further increase the accuracy.

Kanhaiya, Krishan (ORCID:0000000236222655)↗
DOE OSTI2014

Structure and Spin of the Nucleon

Parton distribution functions, describing longitudinal momentum, helicity and transversity distributions of quarks and gluons, have been recently generalized to account also for transverse degrees of freedom. Two new sets of more general distributions, Transverse Momentum Distributions and Generalized Parton Distributions, were introduced to describe transverse momentum and space distributions of partons. Great progress has been made since then in measurements of different Single Spin Asymmetries (SSAs) in semi-inclusive and hard exclusive processes providing access to TMDs and GPDs, respectively. Facilities world-wide involved in studies of the 3D structure of nucleon include HERMES, COMPASS, BELLE, BaBar, Halls A, B, and C at JLab, and PHENIX and STAR at RHIC (BNL). TMD studies in the Drell-Yan process are also becoming an important part of the program of hadron scattering experiments. Studies of TMDs are also among the main driving forces of the JLab 12-GeV upgrade project, several of the forward upgrade proposals of STAR and PHENIX at RHIC, and future facilities, such as the Electron Ion Collider (EIC), FAIR in Germany, and NICA in Russia. In this contribution we present an overview of the latest developments in studies of parton distributions and discuss newly released results, ongoing activities, as well as some future measurements.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Amplitude analysis of resonant production in three pions

We present some results on the analysis of three pion resonances. The analyses are motivated by the recent release of the largest data set on diffractively produced three pions by the COMPASS collaboration. We construct reaction amplitudes that satisfy fundamental $S$-matrix principles, which allows the use of models that have physical constraints to be used in fitting data. The models are motivated by the isobar model that satisfy unitarity constraints. The model consist of a Deck production amplitude with which final state interactions are constrained by unitarity. We employ the isobar model where two of the pions form a quasi-stable particle. The analysis is performed in the high-energy, single Regge limit. We specifically discuss the examples of the three pion $J^{PC}=2^{-+}$ resonance in the $\rho\pi$ and $f_2\pi$ channels.

Jackura, Andrew↗
DOE OSTI2013

The proton structure in the region of high x{sub B}

The hadron structure has been intensively studied over the last 20 years, but mostly in regions of medium and low Bjorken x. On the other hand, there are large experimental projects (Jlab 12 GeV and CERN COMPASS-II) that will produce a lot of data on lepton-nucleon deep inelastic scattering in kinematics regions not study yet, like the region where the parton carries a large momentum fraction of the parent nucleon. It is well known from literature that the high x{sub B} region is quite problematic, because, among other things, one needs to deal with the nucleon resonance region. To avoid this region, one should have an invariant mass for the system greater than 2 GeV. One can do this by lowering the values for x{sub B} (irrelevant for our current research), or by decreasing the value of Q{sup 2}. In the later case, there are not many experimental data and the projects mentioned will try to fill this gap. When one is in the low Q{sup 2} region, an extra problem appears: corrections in the form of M{sup 2}/Q{sup 2}, usually disregarded in the OPE expansion, have now to be taken care of. These corrections are referred to as Target Mass Corrections (TMC). Our work aims to find clean ways to separate these TMC from the experimental data and thus related them to the usual structure functions, measured in other experiments, with are free of effects coming from the finite value of the nucleon mass.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2014

Asymmetric recombination and electron spin relaxation in the semiclassical theory of radical pair reactions

We describe how the semiclassical theory of radical pair recombination reactions recently introduced by two of us [D. E. Manolopoulos and P. J. Hore, J. Chem. Phys. 139, 124106 (2013)] can be generalised to allow for different singlet and triplet recombination rates. This is a non-trivial generalisation because when the recombination rates are different the recombination process is dynamically coupled to the coherent electron spin dynamics of the radical pair. Furthermore, because the recombination operator is a two-electron operator, it is no longer sufficient simply to consider the two electrons as classical vectors: one has to consider the complete set of 16 two-electron spin operators as independent classical variables. The resulting semiclassical theory is first validated by comparison with exact quantum mechanical results for a model radical pair containing 12 nuclear spins. It is then used to shed light on the spin dynamics of a carotenoid-porphyrin-fullerene triad containing considerably more nuclear spins which has recently been used to establish a “proof of principle” for the operation of a chemical compass [K. Maeda, K. B. Henbest, F. Cintolesi, I. Kuprov, C. T. Rodgers, P. A. Liddell, D. Gust, C. R. Timmel, and P. J. Hore, Nature (London) 453, 387 (2008)]. We find in particular that the intriguing biphasic behaviour that has been observed in the effect of an Earth-strength magnetic field on the time-dependent survival probability of the photo-excited C{sup ·+}PF{sup ·−} radical pair arises from a delicate balance between its asymmetric recombination and the relaxation of the electron spin in the carotenoid radical.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Thin film lubrication of hexadecane confined by iron and iron oxide surfaces: A crucial role of surface structure

A comparative analysis of thin film lubrication of hexadecane between different iron and its oxide surfaces has been carried out using classical molecular dynamic simulation. An ab initio force-field, COMPASS, was applied for n-hexadecane using explicit atom model. An effective potential derived from density functional theory calculation was utilized for the interfacial interaction between hexadecane and the tribo-surfaces. A quantitative surface parameterization was introduced to investigate the influence of surface properties on the structure, rheological properties, and tribological performance of the lubricant. The results show that although the wall-fluid attraction of hexadecane on pure iron surfaces is significantly stronger than its oxides, there is a considerable reduction of shear stress of confined n-hexadecane film between Fe(100) and Fe(110) surfaces compared with FeO(110), FeO(111), Fe{sub 2}O{sub 3}(001), and Fe{sub 2}O{sub 3}(012). It was found that, in thin film lubrication of hexadecane between smooth iron and iron oxide surfaces, the surface corrugation plays a role more important than the wall-fluid adhesion strength.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Impact of a narrow limiter SOL heat flux channel on the ITER first wall panel shaping

We report the inboard limiters for ITER were initially designed on the assumption that the parallel heat flux density in the scrape-off layer (SOL) could be approximated by a single exponential with decay length λ q . This assumption was found not to be adequate in 2012, when infra-red (IR) thermography measurements on the inner column during JET limiter discharges clearly revealed the presence of a narrow heat flux channel adjacent to the last closed flux surface. This near-SOL decay occurs with λ q ~ few mm, much shorter than the main SOL λ q , and can raise the heat flux at the limiter apex a factor up to ~4 above the value expected from a single, broader exponential. The original logarithmically shaped ITER inner wall first wall panels (FWPs) would be unsuited to handling the power loads produced by such a narrow feature. A multi-machine study involving the C-Mod, COMPASS, DIII-D and TCV tokamaks, employing inner wall IR measurements and/or inner wall reciprocating probes, was initiated to investigate the narrow limiter SOL heat flux channel. This paper describes the new results which have provided an experimental database for the narrow feature and presents an ITER inner wall FWP toroidal shape optimized for a double-exponential profile with λ q = 4 (narrow feature) and 50 mm (main-SOL), the latter also derived from a separate multi-machine database constituted recently within the International Tokamak Physics Activity. It is shown that the new shape allows the power handling capability of the original shape design to be completely recovered for a wide variety of limiter start-up equilibria in the presence of a narrow feature, even taking assembly tolerances into account. Additionally, it is further shown that the new shape has the interesting property of both mitigating the impact of the narrow feature and resulting in only a very modest increase in heat load, compared to the current design, if the narrow feature is not eventually found on ITER.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Effect of resistivity on poloidal asymmetries in electron density in the edge and scrape off layer in 3D full-F gyro-fluid simulations with FELTOR

In this contribution, we analyze the poloidal asymmetries in electron density in the edge and scrape-off layer (SOL) in a COMPASS-sized, diverted tokamak with the 3D full-F, isothermal, electromagnetic, and gyro-fluid model FELTOR. The study is performed for different simulations that span over 2 orders of magnitude in resistivity. The poloidal asymmetries of density are evaluated in the edge and the SOL relative to the outer midplane (OMP), where the highest densities are usually found. In the closed magnetic surfaces, the relative poloidal asymmetry with respect to the OMP is not larger than 20% independently of the plasma resistivity. For the open field lines in the SOL, the relative density asymmetry can range from 55% for the highest resistivity to around 40% for the lowest. The lowest densities inside the separatrix are found between the inner midplane and the top of the magnetic configuration, away from the X-point. In the SOL it is usually close to the X-point in the high field side. The observations in the closed field lines are consistent with ballooning transport but in the SOL oppose experimental evidence for high-density plasmas. In conclusion, this indicates the necessity for more complex physics to reproduce the experimental observations in the SOL for higher density plasmas, such as neutral-plasma dynamics and realistic divertor conditions.

3D full-f gyrofluid↗
DOE OSTI2022

Non-disruptive error field identification based on magnetic island healing

Here a technique to identify intrinsic error fields (EFs) in tokamaks with minimized risk of disruption is demonstrated on the DIII-D tokamak. The method extends the conventional driven magnetic island ‘compass scan’ approach by modifying asynchronous control waveforms to enable prompt healing of the island instability. Healing of the island is achieved by reducing the imposed non-axisymmetric coil current and raising the density (here via gas fueling). The method is also shown to support multiple island threshold measurements per pulse, thus reducing the number of dedicated pulses necessary to conduct an EF identification. Non-linear modeling with the TM1 code reproduces the experimental results and approximately recovers the critical density required for island healing. Island healing is explained in the non-linear modeling by an increase in the viscous coupling between the static island and the nearby flowing plasma, thus healing the island as it accelerates into the plasma frame. Due to both simplicity and risk minimization, this technique is suitable for plasma-based EF identification in the early commissioning stages of future disruption-averse tokamaks such as ITER and SPARC.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Quantification of locked mode instability triggered by a change in confinement

Abstract This work presents the first analysis of the disruptive locked mode (LM) triggered by the dynamics of a confinement change. It shows that, under certain conditions, the LM threshold during the transient is significantly lower than expected from steady states. We investigate the sensitivity to a controlled n = 1 error field (EF) activated prior to the L-H transition in the COMPASS tokamak, at q 95 ∼ 3, β N ∼ 1, and using EF coils on the high-field side of the vessel. A threshold for EF penetration subsequent to the L-H transition is identified, which shows no significant trend with density or applied torque, and is an apparent consequence of the reduced intrinsic rotation of the 2/1 mode during this transient phase. This finding challenges the assumption made in theoretical and empirical works that natural mode rotation can be predicted by global plasma parameters and urges against using any parametric EF penetration scaling derived from steady-state experiments to define the EF correction strategy in the entire discharge. Furthermore, even at EFs below the identified penetration threshold, disruptive locking of sawtooth-seeded 2/1 tearing modes is observed after about 30% of L-H transitions without external torque.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Non-disruptive error field measurement in DIII-D low safety factor plasmas and projection to ITER

Previous experiments in DIII-D (Paz-Soldan et al 2022 Nucl. Fusion 62 126007) introduced a method to identify intrinsic error fields (EFs) in tokamaks with minimal disruption risk by promptly healing driven magnetic islands during the conventional 'compass scan'. This paper presents recent experimental and numerical advancements in extending this approach to low q 95 plasmas, and projects its applicability to ITER. Non-disruptive EF measurement is achieved at q 95 = 4.5 and 3.9 without any initial EF correction (EFC) by reducing the time between the occurrence of the locked mode (LM) and control action to 10 ms and increasing the density 50%–100%. However, 50% correction of the intrinsic EF is required to achieve island healing at q 95 = 3.2 with 10 ms delay for the control action. Nonlinear two-fluid modeling with the TM1 code reproduces the DIII-D experimental observations, indicating that promptly turning off the 3D coil current reduces both magnetic island width and electromagnetic force, while raising the density increases plasma viscosity, facilitating magnetic island healing. The simulations show that for scenarios with q 95 = 3.2, lowering the control action time to 5 ms will lead to island healing without EFC. TM1 simulations are extended to future ITER scenarios with 5 MA and 7.5 MA plasma currents, predicting the dependence of required density rise on action time and EF amplitude. These simulations indicate that, benefiting from the much longer resistive time, island healing can be successfully achieved in ITER when taking control action 100–500 ms after a LM occurrence.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Competing antiferromagnetic-ferromagnetic states in a d 7 Kitaev honeycomb magnet

The Kitaev model is a rare example of an analytically solvable and physically instantiable Hamiltonian yielding a topological quantum spin liquid ground state. Here we report signatures of Kitaev spin liquid physics in the honeycomb magnet Li 3 Co 2 SbO 6 , built of high-spin d 7 (Co 2+ ) ions, in contrast to the more typical low-spin d 5 electron configurations in the presence of large spin-orbit coupling. Neutron powder diffraction measurements, heat capacity, and magnetization studies support the development of a long-range antiferromagnetic order space group of C C 2/m, below T N = 11K at μ 0 H = 0T. The magnetic entropy recovered between T = 2 and 50 K is estimated to be 0.6Rln2, in good agreement with the value expected for systems close to a Kitaev quantum spin liquid state. The temperature-dependent magnetic order parameter demonstrates a β value of 0.19(3), consistent with XY anisotropy and in-plane ordering, with Ising-like interactions between layers. Further, we observe a spin-flop-driven crossover to ferromagnetic order with space group of C2/m under an applied magnetic field of μ 0 H ≈ 0.7T at T = 2K. Magnetic structure analysis demonstrates these magnetic states are competing at finite applied magnetic fields even below the spin-flop transition. Both the d 7 compass model, a quantitative comparison of the specific heat of Li 3 Co 2 SbO 6 , and related honeycomb cobaltates to the anisotropic Kitaev model further support proximity to a Kitaev spin liquid state. Furthermore, this material demonstrates the rich playground of high-spin d 7 systems for spin liquid candidates and complements known d 5 Ir- and Ru-based materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Dynamical vertex approximation for many-electron systems with spontaneously broken SU(2) symmetry

We generalize the formalism of the dynamical vertex approximation (DΓA)—a diagrammatic extension of the dynamical mean-field theory (DMFT)—to treat magnetically ordered phases. To this aim, we start by concisely illustrating the many-electron formalism for performing ladder resummations of Feynman diagrams in systems with broken SU(2) symmetry associated to ferromagnetic (FM) or antiferromagnetic (AF) order. We then analyze the algorithmic simplifications introduced by taking the local approximation of the two-particle irreducible vertex functions in the Bethe-Salpeter equations, which defines the ladder implementation of DΓA for magnetic systems. The relation of this assumption with the DMFT limit of large coordination-number/high dimensions is explicitly discussed. As a last step, we derive the expression for the ladder DΓA self-energy in the FM- and AF-ordered phases of the Hubbard model. The physics emerging in the AF-ordered case is explicitly illustrated by means of approximated calculations based on a static mean-field input for DΓA equations. The results obtained capture fundamental aspects of both metallic and insulating ground states of two-dimensional antiferromagnets, providing a reliable compass for future, more extensive applications of our approach. Furthermore, possible routes to further develop diagrammatic-based treatments of magnetic phases in correlated electron systems are briefly outlined in the Conclusions.

2-dimensional systems↗
DOE OSTI2023

Theorem on extensive spectral degeneracy for systems with rigid higher symmetries in general dimensions

We establish, in the spirit of the Lieb-Schultz-Mattis theorem, lower bounds on the spectral degeneracy of quantum systems with higher (gaugelike) symmetries with rather generic physical boundary conditions in an arbitrary number of spatial dimensions. Contrary to applying twists or equivalent adiabatic operations, we exploit the effects of modified boundary conditions. We find that when a general choice of boundary geometry is immaterial in determining spectral degeneracies while approaching the thermodynamic limit, systems that exhibit rigid noncommuting gaugelike symmetries, such as the orbital compass model, must have an exponential (in the size of the boundary) degeneracy of each of their spectral levels.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Topological and magnetic phase transitions in the bilayer Kitaev-Ising model

We investigate the phase diagram of a bilayer Kitaev honeycomb model with Ising interlayer interactions, deriving effective models via perturbation theory and performing Majorana mean-field theory calculations. We show that a diverse array of magnetic and topological phase transitions occur, depending on the direction of the interlayer Ising interaction and the relative sign of Kitaev interactions. When two layers have the same sign of the Kitaev interaction, a first-order transition from a Kitaev spin liquid to a magnetically ordered state takes place. The magnetic order points along the Ising axis and it is (anti)ferromagnetic for (anti)ferromagnetic Kitaev interactions. However, when two layers have opposite signs of the Kitaev interaction, we observe a notable weakening of magnetic ordering tendencies and the Kitaev spin liquid survives up to a remarkably larger interlayer exchange. Our mean-field analysis suggests the emergence of an intermediate gapped ℤ 2 spin-liquid state, which eventually becomes unstable upon vison condensation. The confined phase is described by a highly frustrated 120° compass model. We furthermore use perturbation theory to study the model with the Ising axis pointing along the $\hat{z}$ axis or lying in the 𝑥⁢𝑦 plane. In both cases, our analysis reveals the formation of one-dimensional Ising chains, which remain decoupled in perturbation theory, resulting in a subextensive ground-state degeneracy. Our results highlight the interplay between topological order and magnetic ordering tendencies in bilayer quantum spin liquids.

Kitaev model↗
DOE OSTI2024

Perturbative QCD contribution to transverse single spin asymmetries in the Drell-Yan process and SIDIS

In a previous publication [Benić , ], we have computed the perturbative QCD contribution to transverse single spin asymmetries (SSAs) in semi-inclusive deep inelastic scattering (SIDIS) involving the g T ( x ) distribution. In this paper, we first present a more efficient derivation of the asymmetries which is applicable to both transverse and longitudinal SSAs and correct some inconsistencies in our previous calculation. We then adapt the method to compute transverse SSAs in the Drell-Yan process proportional to g T ( x ) and its gluonic counterpart and discuss the crossing symmetry between the results for SIDIS and the Drell-Yan process. Finally, we present numerical results for various asymmetries measurable at the EIC, RHIC, COMPASS, and Fermilab (SpinQuest), including also part of the genuine twist-three corrections to g T ( x ) from a recent global analysis. We find that the asymmetries can reach percent-level magnitude, if the kinematics predominantly probes the large- x (valence) region of the polarized proton, but remain at subpercent levels otherwise. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Ultralight dark matter detection with levitated ferromagnets

Levitated ferromagnets act as ultraprecise magnetometers, which can exhibit high quality factors due to their excellent isolation from the environment. These instruments can be utilized in searches for ultralight dark matter candidates, such as axionlike dark matter or dark-photon dark matter. In addition to being sensitive to an axion-photon coupling or kinetic mixing, which produce physical magnetic fields, ferromagnets are also sensitive to the effective magnetic field (or “axion wind”) produced by an axion-electron coupling. While the dynamics of a levitated ferromagnet in response to a dc magnetic field have been well studied, all of these couplings would produce ac fields. In this work, we study the response of a ferromagnet to an applied ac magnetic field and use these results to project their sensitivity to axion and dark-photon dark matter. We pay special attention to the direction of motion induced by an applied ac field, in particular, whether it precesses around the applied field (similar to an electron spin) or librates in the plane of the field (similar to a compass needle). We show that existing levitated ferromagnet setups can already have comparable sensitivity to an axion-electron coupling as comagnetometer or torsion balance experiments. In addition, future setups can become sensitive probes of axion-electron coupling, dark-photon kinetic mixing, and axion-photon coupling, for ultralight dark matter masses m DM ≲ feV . Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗