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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 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Magnetic ground states of honeycomb lattice Wigner crystals

Lattice Wigner crystal states stabilized by long-range Coulomb interactions have recently been realized in two-dimensional moiré materials. We employ large-scale unrestricted Hartree-Fock techniques to unveil the magnetic phase diagrams of honeycomb lattice Wigner crystals. For the three lattice filling factors with the largest charge gaps, $n=2/3,1/2,1/3$, the magnetic phase diagrams contain multiple phases, including ones with non-collinear and non-coplanar spin arrangements. We discuss magnetization evolution with external magnetic field, which has potential as an experimental signature of exotic spin states. Our theoretical results could potentially be validated in moiré materials formed from group VI transition metal dichalcogenide twisted homobilayers.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Electronic transport in two-dimensional high dielectric constant nanosystems

There has been remarkable recent progress in engineering high-dielectric constant two dimensional (2D) materials, which are being actively pursued for applications in nanoelectronics in capacitor and memory devices, energy storage, and high-frequency modulation in communication devices. Yet many of the unique properties of these systems are poorly understood and remain unexplored. Here we report a numerical study of hopping conductivity of the lateral network of capacitors, which models two-dimensional insulators, and demonstrate that 2D long-range Coulomb interactions lead to peculiar size effects. We find that the characteristic energy governing electronic transport scales logarithmically with either system size or electrostatic screening length depending on which one is shorter. Our results are relevant well beyond their immediate context, explaining, for example, recent experimental observations of logarithmic size dependence of electric conductivity of thin superconducting films in the critical vicinity of superconductor-insulator transition where a giant dielectric constant develops. Our findings mark a radical departure from the orthodox view of conductivity in 2D systems as a local characteristic of materials and establish its macroscopic global character as a generic property of high-dielectric constant 2D nanomaterials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Control of chemical reactivity by transition-state and beyond

It has been long established that the transition state for an activated reaction controls the overall reactivity, serving as the bottleneck for reaction flux. However, the role of the transition state in regulating quantum state resolved reactivity has only been addressed more recently, thanks to advances in both experimental and theoretical techniques. Here in this perspective, we discuss some recent advances in understanding mode-specific reaction dynamics in bimolecular reactions, mainly focusing on the X + H 2 O/CH 4 (X = H, F, Cl, and O( 3 P)) systems, extensively studied in our groups. These advances shed valuable light on the importance of the transition state in mode-specific and steric dynamics of these prototypical reactions. It is shown that many mode-specific phenomena can be understood in terms of a transition-state based model, which assumes in the sudden limit that the ability of a reactant mode for promoting the reaction stems from its coupling with the reaction coordinate at the transition state. Yet, in some cases the long-range anisotropic interactions in the entrance (or exit) valley, which govern how the trajectories reach (or leave) the transition state, also come into play, thus modifying the reactive outcomes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Near Surface Nucleation and Particle Mediated Growth of Colloidal Au Nanocrystals

During non-classical growth of nanostructures via assembly of primary nuclei, nucleation and assembly are assumed to be distinct processes: nanoparticles nucleate randomly and aggregate to form extended structures through Brownian motion in the presence of long-range attractive interactions. Here we investigate the relationship between these two processes by using in situ AFM, in situ, ex situ and cryo TEM and UV-Vis spectroscopy to observe growth of colloidal gold and simulations to develop a mechanistic model of the process. Our results reveal an inexorable link between nucleation and assembly with nuclei forming almost exclusively within a ~ 1 nm interfacial region of existing particles. The new particles immediately close the gap either through a diffusive jump or via growth of a neck between the seed and new particle, generating aggregates exhibiting features commonly attributed to oriented attachment of independently nucleated particles. The results demonstrate that creation of initial particle interfaces leads to local environments that redirect growth towards non-classical processes.

Cheng, Yingwen↗
DOE OSTI2020

Conversion between triplet pair states is controlled by molecular coupling in pentadithiophene thin films

In singlet fission (SF) the initially formed correlated triplet pair state, 1 (TT), may evolve toward independent triplet excitons or higher spin states of the (TT) species. The latter result is often considered undesirable from a light harvesting perspective but may be attractive for quantum information sciences (QIS) applications, as the final exciton pair can be spin-entangled and magnetically active with relatively long room temperature decoherence times. In this study we use ultrafast transient absorption (TA) and time-resolved electron paramagnetic resonance (TR-EPR) spectroscopy to monitor SF and triplet pair evolution in a series of alkyl silyl-functionalized pentadithiophene (PDT) thin films designed with systematically varying pairwise and long-range molecular interactions between PDT chromophores. The lifetime of the (TT) species varies from 40 ns to 1.5 μs, the latter of which is associated with extremely weak intermolecular coupling, sharp optical spectroscopic features, and complex TR-EPR spectra that are composed of a mixture of triplet and quintet-like features. On the other hand, more tightly coupled films produce broader transient optical spectra but simpler TR-EPR spectra consistent with significant population in 5 (TT) 0 . These distinctions are rationalized through the role of exciton diffusion and predictions of TT state mixing with low exchange coupling J versus pure spin substate population with larger J. The connection between population evolution using electronic and spin spectroscopies enables assignments that provide a more detailed picture of triplet pair evolution than previously presented and provides critical guidance for designing molecular QIS systems based on light-induced spin coherence.

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

Directing the far-from-equilibrium assembly of nanoparticles in confined liquid crystals by hydrodynamic fields

The assembly of nematic colloids relies on long-range elastic interactions that can be manipulated through external stimuli. Confinement and the presence of a hydrodynamic field alter the defect structures and the energetic interactions between the particles. Here, the assembly landscape of nanoparticles embedded in a nematic liquid crystal confined in a nanochannel under a pressure-driven flow is determined. The dynamics of the liquid crystal tensor alignment field is determined through a Poisson-Bracket framework, namely the Stark–Lubensky equations, coupled with the zero-Reynolds momentum equations and the liquid crystal Landau-de Gennes free energy functional. A second order semi-implicit time integration and a three-dimensional Galerkin finite element method are used to resolve flow and nematic fields under several conditions. In general, the zero Reynolds flow displaces the defects around the particles in the upstream direction and renders the surface anchoring ineffective when the flow strength dominates over the nematic elasticity. More importantly, the potential of mean force for particle assembly is non-monotonic independent of surface anchoring. Our results show that the confinement length scale determines the repulsion/attraction transition between colloids, while the flow strength modifies the static defect structure surrounding the particles and determines the magnitude of the energetic barrier for successful assembly. In the attractive regime, the particles move at different rates through the nematic until one particle eventually catches up with the other. This process occurs against or along the direction of flow depending on the flow strength. Ultimately, these results provide a template for engineering and controlling the transport and assembly of nanoparticles under far-from equilibrium conditions in anisotropic media.

36 MATERIALS SCIENCE↗
DOE OSTI2010

Latest results on the XYZ states from Belle and BaBar

Recent experimental studies of new charmonium-like states at B-factories are reviewed. This review covers updates on the exotic candidates, the X(3872) and Z(4430), searches and measurements of other new or known states in the mass region 3.9-4.7 GeV, and measurements of exclusive processes including a charmonium or a D(*)-meson pair in their final states, which are produced by initial-state-radiation processes related to the Y(4260) and other states.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2010

Rare {Lambda}{sub b} decays in a quark model

Hadronic form factors for the rare weak transitions {Lambda}{sub b{yields}{Lambda}}{sup (*)} are calculated using a nonrelativistic quark model. The form factors obtained in this way are found to satisfy the relationships expecetd from the heavy quark effective theory. Differential decay rates and branching ratios are calculated for the dileptonic decays {Lambda}{sub b{yields}{Lambda}}{sup (*)}l{sup +}l{sup -}, for both ground state and excited daughter baryons. Inclusion of the long distance contributions from charmonium resonances significantly enhances the decay rates. Future work is outlined.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2011

3.4 GHz composite thin film bulk acoustic wave resonator for miniaturized atomic clocks

Triple layer SiO{sub 2}/AlN/SiO{sub 2} composite thin film bulk acoustic wave resonators (TFBARs) were studied for applications in atomic clocks. The TFBAR's were tuned to 3.4 GHz, corresponding to half the hyperfine splitting of the ground state of rubidium {sup 87}Rb atoms. The quality factor (Q) was equal to 2300 and the temperature coefficient of the resonance frequency f{sub r} amounted to 1.5 ppm/K. A figure of merit Qf{sub r} of {approx} 0.8 x 10{sup 13} Hz and a thickness mode coupling factor of 1% were reached. Such figures are ideal for frequency sources in an oscillator circuit that tracks the optical signal in atomic clocks.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Muon Acceleration-RLA and FFAG

Various acceleration schemes for muons are presented. The overall goal of the acceleration systems: large acceptance acceleration to 25 GeV and 'beam shaping' can be accomplished by various fixed field accelerators at different stages. They involve three superconducting linacs: a single pass linear Pre-accelerator followed by a pair of multi-pass Recirculating Linear Accelerators (RLA) and finally a non-scaling FFAG ring. The present baseline acceleration scenario has been optimized to take maximum advantage of appropriate acceleration scheme at a given stage. The solenoid based Pre-accelerator offers very large acceptance and facilitates correction of energy gain across the bunch and significant longitudinal compression trough induced synchrotron motion. However, far off-crest acceleration reduces the effective acceleration gradient and adds complexity through the requirement of individual RF phase control for each cavity. The RLAs offer very efficient usage of high gradient superconducting RF and ability to adjust path-length after each linac pass through individual return arcs with uniformly periodic FODO optics suitable for chromatic compensation of emittace dilution with sextupoles. However, they require spreaders/recombiners switchyards at both linac ends and significant total length of the arcs. The non-scaling Fixed Field Alternating Gradient (FFAG) ring combines compactness with very large chromatic acceptance (twice the injection energy) and it allows for large number of passes through the RF (at least eight, possibly as high as 15).

43 PARTICLE ACCELERATORS↗
DOE OSTI2011

Exploring leptonic CP violation with a Li/B {beta}-beam from CERN to Gran Sasso

We have considered a {beta}-beam setup which tries to leverage at most existing European facilities to boost high-Q ions aiming at a far detector located at L = 732 km in the Gran Sasso Underground Laboratory. The average neutrino energy obtained from {sup 8}Li and {sup 8}B ions boosted at {gamma}-tilde100 is in the range eV - GeV, high enough to use a large iron detector of the MINOS type. We perform, then, a study of the neutrino and antineutrino fluxes needed to observe CP violation and to establish the neutrino mass hierarchy in a significant part of the parameter space.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2011

New Results from MiniBooNE Charged-Current Quasi-Elastic Anti-Neutrino Data

MiniBooNE anti-neutrino charged-current quasi-elastic (CCQE) data is compared to model predictions. The main background of neutrino-induced events is examined first, where three independent techniques are employed. Results indicate the neutrino flux is consistent with a uniform reduction of {approx}20% relative to the largely uncertain prediction. After background subtraction, the Q{sup 2} shape of {nu}-bar{sub {mu}} CCQE events is consistent with the model parameter M{sub A} = 1.35 GeV determined from MiniBooNE {nu}{sub {mu}} CCQE data, while the normalization is {approx}20% high compared to the same prediction.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2012

Spin dynamics in the multiferroic materials (invited)

We report high resolution inelastic neutron scattering measurements and spin dynamics calculations in two multiferroic materials: the geometrically frustrated triangular lattice CuFeO2 and mineral Hu bnerite MnWO4. In un-doped CuFeO2 a low-T collinear spin structure is stabilized by long range magnetic interactions. When doped with a few percent of gallium, the spin order evolves into a complex noncollinear configuration and the system becomes multiferroic. Similarly, the ground state collinear spin order in pure MnWO4 results from delicate balance between competing magnetic interactions up to 11th nearest neighbors and can be tuned by substitution of Mn ions with magnetic or nonmagnetic impurities. The comprehensive investigation of spin dynamics in both systems help to understand the fundamental physical process and the interactions leading to the close interplay of magnetism and ferroelectricity in this type of materials. VC2012 American Institute of Physics. [doi:10.1063/1.3677863]

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2012

Excitonic energy transfer in light-harvesting complexes in purple bacteria

Two distinct approaches, the Frenkel-Dirac time-dependent variation and the Haken-Strobl model, are adopted to study energy transfer dynamics in single-ring and double-ring light-harvesting (LH) systems in purple bacteria. It is found that the inclusion of long-range dipolar interactions in the two methods results in significant increase in intra- or inter-ring exciton transfer efficiency. The dependence of exciton transfer efficiency on trapping positions on single rings of LH2 (B850) and LH1 is similar to that in toy models with nearest-neighbor coupling only. However, owing to the symmetry breaking caused by the dimerization of BChls and dipolar couplings, such dependence has been largely suppressed. In the studies of coupled-ring systems, both methods reveal an interesting role of dipolar interactions in increasing energy transfer efficiency by introducing multiple intra/inter-ring transfer paths. Importantly, the time scale (4 ps) of inter-ring exciton transfer obtained from polaron dynamics is in good agreement with previous studies. In a double-ring LH2 system, non-nearest neighbor interactions can induce symmetry breaking, which leads to global and local minima of the average trapping time in the presence of a non-zero dephasing rate, suggesting that environment dephasing helps preserve quantum coherent energy transfer when the perfect circular symmetry in the hypothetic system is broken. This study reveals that dipolar coupling between chromophores may play an important role in the high energy transfer efficiency in the LH systems of purple bacteria and many other natural photosynthetic systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Triple-alpha reaction rate studied with the Faddeev three-body formalism

The triple-alpha (3{alpha}) reaction, {sup 4}He+{sup 4}He+{sup 4}He{yields}{sup 12}C+{gamma}, which plays a significant role in the stellar evolution scenarios, is studied in terms of a three-alpha (3-{alpha}) model. The reaction rate of the process is calculated via an inverse process, 3-{alpha} photodisintegration of a {sup 12}C nucleus. Both of 3-{alpha} bound and-continuum states are calculated by a Faddeev method with accommodating the long range Coulomb interaction. With being adjusted to the empirical E2-strength for {sup 12}C(0{sub 2}{sup +}){yields}{sup 12}C(2{sub 1}{sup +}) transition, results of the 3{alpha} reaction rate <{alpha}{alpha}{alpha}> at higher temperature (T > 10{sup 8} K), where the reaction proceeds mainly through the {sup 8}Be and {sup 12}C(0{sub 2}{sup +}) resonant states, almost agree with those of the Nuclear Astrophysics Compilation of Reaction Rates (NACRE). On the other hand, calculated values of <{alpha}{alpha}{alpha}> are about 10{sup 3} times larger than the NACRE rate at a low temperature (T= 10{sup 7} K), which means our results are remarkably smaller than recent CDCC results.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2013

Systematic analysis of transverse momentum distribution and non-extensive thermodynamics theory

A systematic analysis of transverse momentum distribution of hadrons produced in ultrarelativistic p+p and A+A collisions is presented. We investigate the effective temperature and the entropic parameter from the non-extensive thermodynamic theory of strong interaction. We conclude that the existence of a limiting effective temperature and of a limiting entropic parameter is in accordance with experimental data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2013

Microscopic magnetic properties of an oxygen-doped Tb-Fe thin film by magnetic Compton scattering

The magnetic Compton scattering of a Tb{sub 32}Fe{sub 55}O{sub 13} film was measured in order to investigate the microscopic magnetization processes (i.e., the spin moment, orbital moment, and element specific moments). The trend of the spin magnetic moment was the same as that of the total magnetic moment but opposite to the orbital magnetic moment. In the low magnetic field region, the magnetic moments were not perfectly aligned perpendicular to the film surface, and the perpendicular components were found to mainly arise from the magnetic moment of Tb. Oxygen atoms hinder long range magnetic interaction and hence also affect the magnetization process of the magnetic moments of Tb and Fe.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Membrane formation by preferential solvation of ions in mixture of water, 3-methylpyridine, and sodium tetraphenylborate

The structure and dynamics of a ternary system composed of deuterium oxide (D{sub 2}O), 3-methylpyridine (3MP), and sodium tetraphenylborate (NaBPh{sub 4}) are investigated by means of small-angle neutron scattering (SANS) and neutron spin echo (NSE) techniques. In the SANS experiments, a structural phase transition is confirmed between a disordered-phase and an ordered-lamellar-phase upon variation of the composition and/or temperature of the mixture. The characteristic lengths of the structures is on the sub-micrometer scale. A dispersion relation of the structure is measured through NSE experiments, which shows that the relaxation rate follows a cubic relation with momentum transfer. This implies that the dynamics of the system are determined predominantly by membrane fluctuations. The present results indicate that 3MP-rich domains are microscopically separated from bulk water in the presence of NaBPh{sub 4}, and that the layers behave as membranes. These results are interpreted that preferential solvation of salt in each solvent induces a microphase separation between the solvents, and the periodic structure of 3MP-rich domains is stabilized by the long-range electrostatic interaction arising from Na{sup +} ions in D{sub 2}O-rich domains.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗