Results for “EXCHANGE INTERACTIONS” — Page 68

NASA NTRS1983

Charge exchange in solar wind-cometary interactions

A simple model of a cometary spherically symmetrical atmosphere and ionosphere is considered. An analytic solution of the governing equations describing the radial distribution of the neutral and ion densities is found. The new solution is compared to the well-known solution of the equations containing only ionization terms. Neglecting recombination causes a significant overestimate of the ion density in the vicinity of the comet. An axisymmetric model of the solar wind-cometary interaction is considered, taking into account the loss of solar wind ions due to charge exchange. The calculations predict that for active comets, solar wind absorption due to charge exchange becomes important at a few thousand kilometers from the nucleus, and a surface separating the shocked solar wind from the cometary ionosphere develops in this region. These calculations are in reasonable agreement with the few observations available for the ionopause location at comets.

Gombosi, T. I.↗

DOE OSTI2013

CLIVAR Exchanges No. 62: Sea Level Rise, Ocean/Ice Shelf Interactions and Ice Sheets

This special issue of CLIVAR Exchanges is devoted to presenting a selection of the science contributed by both speakers and poster presenters at the CLIVAR Workshop on Sea Level Rise, Ocean/Ice Shelf Interactions and Ice Sheets at CSIRO Marine and Atmospheric Research in Hobart, Australia, on 18-20 February 2013. The workshop brought together leading international scientists and early-career researchers from the ocean, ice-sheet, ice-shelf, and sea-level rise modelling and observational communities to explore the state-of-science and emerging pathways for development of the next generation of coupled climate models.

58 GEOSCIENCES↗

DOE OSTI2021

Hidden Spin-Isospin Exchange Symmetry

The strong interactions among nucleons have an approximate spin-isospin exchange symmetry that arises from the properties of quantum chromodynamics in the limit of many colors, N c . However this large- N c symmetry is well hidden and reveals itself only when averaging over intrinsic spin orientations. Furthermore, the symmetry is obscured unless the momentum resolution scale is close to an optimal scale that we call Λ large-N c . We show that the large-N c derivation requires a momentum resolution scale of Λ large-N c ~ 500 MeV. We derive a set of spin-isospin exchange sum rules and discuss implications for the spectrum of 30 P and applications to nuclear forces, nuclear structure calculations, and three-nucleon interactions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2023

Exchange correlation potentials from full configuration interaction in a Slater orbital basis

Ryabinkin–Kohut–Staroverov (RKS) theory builds a bridge between wave function theory and density functional theory by using quantities from the former to produce accurate exchange-correlation potentials needed by the latter. In this work, the RKS method is developed and tested alongside Slater atomic orbital basis functions for the first time. To evaluate this approach, full configuration interaction computations in the Slater orbital basis are employed to give quality input to RKS, allowing full correlation to be present along with correct nuclei cusps and asymptotic decay of the wavefunction. SlaterRKS is shown to be an efficient algorithm to arrive at exchange-correlation potentials without unphysical artifacts in moderately-sized basis sets. Furthermore, enforcement of the nuclear cusp conditions will be shown to be vital for the success of the Slater-basis RKS method. As a result, examples of weakly and strongly correlated molecular systems will demonstrate the main features of SlaterRKS.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2016

A New Paradigm for Hadronic Parity Nonconservation and Its Experimental Implications

The primary experimental goal of studies of hadronic parity nonconservation (PNC) has long been the isolation of the isovector weak nucleon–nucleon interaction, expected to be dominated by long-range pion exchange and enhanced by the neutral current. In meson-exchange descriptions, this interaction, together with an isoscalar interaction generated by ρ and ω exchange, dominates most observables. Both amplitudes have been used to compare and check the consistency of experiments, yet no evidence for isovector hadronic PNC has been found. We argue that the emphasis on isovector hadronic PNC was misplaced. The large-N c expansion provides an alternative and theoretically better-motivated simplification of effective field theories (EFTs) of hadronic PNC, separating the five low-energy constants (LECs) into two of leading order (LO) and three of next-to-next-to-leading order (N 2 LO). We show that this large-N c LEC hierarchy accurately describes all existing data on hadronic PNC and discuss opportunities to further test the predicted large-N c LEC hierarchy. This formalism—combined with future experiments—could lead to rapid progress in the next 5 years. Finally, we discuss the impact of anticipated new results and describe future experiments that can yield more precise values of the LO LECs and help to isolate the N 2 LO ~10% corrections.

effective field theory↗

DOE OSTI2015

Meson exchange current (MEC) models in neutrino interaction generators

Understanding of the so-called 2 particle-2 hole (2p-2h) effect is an urgent program in neutrino interaction physics for current and future oscillation experiments. Such processes are believed to be responsible for the event excesses observed by recent neutrino experiments. The 2p-2h effect is dominated by the meson exchange current (MEC), and is accompanied by a 2-nucleon emission from the primary vertex, instead of a single nucleon emission from the charged-current quasi-elastic (CCQE) interaction. Current and future high resolution experiments can potentially nail down this effect. For this reason, there are world wide efforts to model and implement this process in neutrino interaction simulations. In these proceedings, I would like to describe how this channel is modeled in neutrino interaction generators.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

Magnetogenesis by Wave-driven Momentum Exchange

When multiple species interact with an electrostatic ion acoustic wave, they can exchange momentum, despite the lack of momentum in the field itself. Furthermore, the resulting force on the electrons can have a curl, and thus give rise to compensating electric fields with curl on magnetohydrodynamic timescales. As a result, a magnetic field can be generated. Surprisingly, in some astrophysical settings, this mechanism can seed magnetic fields with growth rates even larger than through the traditional Biermann battery.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Skyrmion–skyrmion interaction in a magnetic film

Interaction of two skyrmions stabilized by the ferromagnetic exchange, Dzyaloshinskii–Moriya interaction (DMI), and external magnetic field has been studied numerically on a 2D lattice of size large compared to the separation, d, between the skyrmions. We show that two skyrmions of the same chirality (determined by the symmetry of the crystal) repel. In accordance with earlier analytical results, their long-range pair interaction falls out with the separation as exp(-d/δ H ), where δ H is the magnetic screening length, independent of the DMI. The prefactor in this expression depends on the DMI that drives the repulsion. The latter results in the spiral motion of the two skyrmions around each other, with the separation between them growing logarithmically with time. When two skyrmions of the total topological charge Q = 2 are pushed close to each other, the discreteness of the atomic lattice makes them collapse into one skyrmion of charge Q = 1 below a critical separation. Experiment is proposed that would allow one to measure the interaction between two skyrmions by holding them in positions with two magnetic tips. Our findings should be of value for designing topologically protected magnetic memory based upon skyrmions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRSDate not supplied

Process Drivers, Inter-model Spread, and a Path Forward: What Do We Know About Arctic Amplification?

Over the recent decades, rapid changes have been observed in the Arctic resulting from enhanced surface warming in the Arctic relative to the rest of the globe, a phenomenon called Arctic Amplification. While surface-based amplification of Arctic warming in response to increased CO2 has been established. The driving mechanisms, relevant processes, and the relative roles of local and remote mechanisms to Arctic Amplification remain unclear. Research over the last decade has made it clear that coupling between the atmosphere, sea ice, and ocean play a key role in Arctic Amplification. This presentation summarizes recent research on the fundamental role that atmosphere-sea ice-ocean interactions and energy exchanges play in driving Arctic Amplification, how these interactions manifest as radiative climate feedbacks, and how these processes influence the differences in the projected Arctic climate change across CMIP5 and 6. We hypothesize that models that simulate larger warming do so by generating a larger local atmospheric circulation response that more effectively redistributes energy drawn from the ocean in sea ice retreat regions Arctic-wide and contributing to a larger increase in downwelling long wave radiation. This process is also fundamentally tied to the Arctic lapse rate feedback.

Patrick Charles Taylor↗

NASA NTRSDate not supplied

Process drivers, inter-model spread, and a path forward: What do we know about Arctic Amplification?

Over the recent decades, rapid changes have been observed in the Arctic resulting from enhanced surface warming in the Arctic relative to the rest of the globe, a phenomenon called Arctic Amplification. While surface-based amplification of Arctic warming in response to increased CO2 has been established. The driving mechanisms, relevant processes, and the relative roles of local and remote mechanisms to Arctic Amplification remain unclear. Research over the last decade has made it clear that coupling between the atmosphere, sea ice, and ocean play a key role in Arctic Amplification. This presentation summarizes recent research on the fundamental role that atmosphere-sea ice-ocean interactions and energy exchanges play in driving Arctic Amplification, how these interactions manifest as radiative climate feedbacks, and how these processes influence the differences in the projected Arctic climate change across CMIP5 and 6. We hypothesize that models that simulate larger warming do so by generating a larger local atmospheric circulation response that more effectively redistributes energy drawn from the ocean in sea ice retreat regions Arctic-wide and contributing to a larger increase in downwelling long wave radiation. This process is also fundamentally tied to the Arctic lapse rate feedback.

Arctic amplification↗

NASA NTRSDate not supplied

Process drivers, inter-model spread, and a path forward: What do we know about Arctic Amplification?

Over the recent decades, rapid changes have been observed in the Arctic resulting from enhanced surface warming in the Arctic relative to the rest of the globe, a phenomenon called Arctic Amplification. While surface-based amplification of Arctic warming in response to increased CO2 has been established. The driving mechanisms, relevant processes, and the relative roles of local and remote mechanisms to Arctic Amplification remain unclear. Research over the last decade has made it clear that coupling between the atmosphere, sea ice, and ocean play a key role in Arctic Amplification. This presentation summarizes recent research on the fundamental role that atmosphere-sea ice-ocean interactions and energy exchanges play in driving Arctic Amplification, how these interactions manifest as radiative climate feedbacks, and how these processes influence the differences in the projected Arctic climate change across CMIP5 and 6. We hypothesize that models that simulate larger warming do so by generating a larger local atmospheric circulation response that more effectively redistributes energy drawn from the ocean in sea ice retreat regions Arctic-wide and contributing to a larger increase in downwelling long wave radiation. This process is also fundamentally tied to the Arctic lapse rate feedback.

Patrick C. Taylor↗

DOE OSTI2021

On Anomaly Detection for Transactive Energy Systems with Competitive Market

Two anomaly-detection criteria are proposed for transactive energy systems with competitive markets. Participants of transactive energy systems seek an optimal power allocation through hybrid economic-control methods to facilitate the integration of various types of distributed energy resources to power distribution systems. In transactive energy systems, every participant is assumed to be a rational entity, and consumers have diminishing marginal utility and suppliers have increasing marginal cost. With the first proposed anomaly-detection criterion, the monotonicity of marginal cost and marginal utility are examined. The impact of line flow constraints is also taken into consideration. Then, the second anomaly-detection criterion is proposed for TESs with marginal cost and marginal utility which change faster than a certain rate. The second criterion is more accurate than the first one for TES with marginal cost and marginal utility which change faster than a certain rate, but it requires the knowledge of that rate. Neither criteria requires more data than those necessary to find the optimal power allocation and the market-clear price in a transactive energy system. Therefore, the proposed criteria do not disclose any more data than necessary. As the monotonicity of marginal cost and marginal utility in a TES with competitive markets results in convex objective functions in an optimization problem and strongly convex ones when marginal cost and marginal utility changes faster than a certain rate, the two detection criteria are also applicable to anomaly detection of general convex optimization problems. Simulations are carried out to show the efficacy of the proposed criteria to detect anomalies caused by cyberattacks.

Wang, Peng↗

DOE OSTI2019

Enhanced interfacial ferromagnetism and exchange bias in (111)-oriented LaNiO 3 / CaMnO 3 superlattices

Emergent properties of complex oxide interfaces are based on interface reconstruction that is driven by mismatch of electronic bands, valence states, interaction lengths, and even crystal symmetry of the interface. In particular, emergent ferromagnetism at the interface of two materials that do not exhibit ferro- or ferrimagnetism in the bulk has been stabilized as a result of competing exchange interactions. When LaNiO 3 and CaMnO 3 , which are a paramagnetic metal and antiferromagnetic insulator in the bulk, respectively, are brought together, ferromagnetism emerges at the interface. Here we show that in (111)-oriented LaNiO 3 / CaMnO 3 (LNO/CMO) superlattices, Ni 2+ -Mn 4+ superexchange interactions due to polar mismatch at the LNO/CMO interfaces are responsible for the emergent ferromagnetism. Compared to (001)-oriented LNO/CMO superlattices, (111)-oriented LNO/CMO superlattices exhibit enhanced interfacial ferromagnetism with a T C > 200 K, greater than the bulk antiferromagnetic transition temperature of CaMnO 3 and a saturated magnetic moment enhanced by up to a factor of 3. Furthermore, we observe exchange bias in (111)-oriented superlattices. The strong exchange interactions along the (111) interface, manifest in the enhanced T c and exchange bias, make this class of CMO-based materials with (111)-oriented interfaces good candidates for low-dimensional spin-polarized materials in spintronic applications.

36 MATERIALS SCIENCE↗

NASA NTRS1981

Elastic scattering and rotational excitation of a polyatomic molecule by electron impact - Acetylene

Differential, integral, momentum transfer, and partial cross sections have been calculated for elastic scattering and rotational excitation of C2H2 by 10-eV electrons. The effective potential includes static, exchange, and polarization interactions calculated by the INDOX/1s method and the semiclassical exchange approximation with adiabatic polarization at large electron-molecule distances. The scattering is treated by well converged rotational close coupling using the centrifugal dominant scheme to select the channels included and including up to 32 coupled channels for a given total angular momentum. The calculated integral cross sections for pure elastic scattering and rotation excitation are 54.5 and 41.4 a(0)squared, respectively. These are much larger than the values (34.4 and 18.6 a(0)squared) previously (Onda and Truhlar, 1979) calculated for the isoelectronic molecule N2, at this energy. This illustrates how the greater spatial extent of C2H2 greatly increases the cross sections for pure elastic and rotationally inelastic scattering.

Thirumalai, D.↗

DOE OSTI2022

Gravitational Contact Interactions -- Does the Jordan Frame Exist?

Scalar--tensor theories, with Einstein Hilbert and non-minimal interactions, $\sim M^2R/2 -\alpha\phi^2R/12 $, have graviton exchange induced contact interactions. These always pull the theory back into a formal Einstein frame in which $\alpha$ does not exist. In the Einstein frame, contact terms are induced, that are then absorbed back into other couplings to define the effective potential (or equivalently, the renormalization group). We show how these effects manifest themselves in a simple model by computing the effective potential in both frames displaying the discrepancy.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2012

Magnetic phase transitions in Nd{sub 1-x}Dy{sub x}Fe{sub 3}(BO{sub 3}){sub 4} ferroborates

The magnetic properties of ferroborate single crystals with substituted compositions Nd{sub 1-x}Dy{sub x}Fe{sub 3}(BO{sub 3}){sub 4} (x = 0.15, 0.25) with competing exchange Nd-Fe and Dy-Fe interactions are investigated. For each composition, we observed a spontaneous spin-reorientation transition from the easy-axis to the easy-plane state and step anomalies on the magnetization curves for the spin-flop transition induced by a magnetic field B vertical bar c. The measured parameters and effects are interpreted using a unified theoretical approach based on the molecular field approximation and on calculations performed in the crystal-field model for the rare-earth ion. The experimental temperature dependences of the initial magnetic susceptibility from T = 2 K to T = 300 K, anomalies on the magnetization curves for B vertical bar c in fields up to 1.8 T, and their evolution with temperature, as well as temperature and field dependences of magnetization in fields up to 9 T are described. In the interpretation of experimental data, the crystal-field parameters in trigonal symmetry for the rare-earth subsystem are determined, as well as the parameters of Nd-Fe and Dy-Fe exchange interactions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1975

Two-electron bond-orbital model. I

The one-electron bond-orbital model of Harrison (1973) for tetrahedrally coordinated solids is modified to a two-electron model using a generalization of Falicov and Harris' (1969) method for treating the hydrogen molecule. Expressions for nuclear-exchange and pseudodipolar interactions are obtained in terms of bond-orbital model parameters. The eigenfunctions and eigenvalues of the Hamiltonian are employed along with standard perturbation theory to calculate the energy shifts resulting from the application of an external electric field and induced by the magnetic interaction between the nuclear spins and the bond-electron spins. The quantitative predictions of the derived formulas are examined for real semiconductors involving elements and compounds from periodic groups III, IV, and V. It is concluded that the present two-electron model makes it possible to assess the quantitative effects of electron correlation in the anion-cation bond for both nonmagnetic properties (electric susceptibility, dielectric constant) and magnetic properties (nuclear-exchange and pseudodipolar interactions) of various materials.

Huang, C.↗

NASA NTRS1995

Simultaneous concentration and purification through gradient deformation chromatography

Mobile-phase additives, commonly used to modulate absorbate retention in gradient elution chromatography, are usually assumed to be either linearly retained or unretained. Previous theoretical work from our laboratory has shown that these modulators, such as salts in ion-exchange and hydrophobic interaction chromatography and organic modifiers in reversed-phase chromatography, can absorb nonlinearly, giving rise to gradient deformation. Consequently, adsorbate peaks that elute in the vicinity of the head of the deformed gradient may exhibit unusual shapes, form shoulders, and/or be concentrated. These effects for a reversed-phase sorbent with aqueous acetonitrile (ACN) as the modulator are verified experimentally. Gradient deformation is demonstrated experimentally and agrees with simulations based on ACN isotherm parameters that are independently determined from batch equilibrium studies using the layer model. Unusual absorbate peak shapes were found experimentally for single-component injections of phenylalanine, similar to those calculated by the simulations. A binary mixture of tryptophan and phenylalanine is used to demonstrate simultaneous concentration and separation, again in agreement with simulations. The possibility of gradient deformation in ion-exchange and hydrophobic interaction chromatography is discussed.

NASA Discipline Number 93-10↗