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Results for “INTERACTION RANGE”

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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Enhanced optoelastic interaction range in liquid crystals with negative dielectric anisotropy

We demonstrate that the long-range interaction between surface-functionalized microparticles immersed a nematic liquid crystal—a “nematic colloid”—and a laser-induced “ghost colloid” can be enhanced by a low-voltage quasistatic electric field when the nematic mesophase has a negative dielectric anisotropy. The optoelastic trapping distance is shown to be enhanced by a factor up to 2.5 in presence of an electric field. Experimental data are quantitatively described with a theoretical model accounting for the spatial overlap between the orientational distortions around the microparticle and those induced by the trapping light beam itself.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Signaling and scrambling with strongly long-range interactions

Strongly long-range interacting quantum systems—those with interactions decaying as a power law 1/$r^α$ in the distance $\textit{r}$ on a $\textit{D}$-dimensional lattice for $\textit{α ≤ D}$—have received significant interest in recent years. They are present in leading experimental platforms for quantum computation and simulation, as well as in theoretical models of quantum-information scrambling and fast entanglement creation. Since no notion of locality is expected in such systems, a general understanding of their dynamics is lacking. In a step towards rectifying this problem, we prove two Lieb-Robinson-type bounds that constrain the time for signaling and scrambling in strongly long-range interacting systems, for which no tight bounds were previously known. In this work, our first bound applies to systems mappable to free-particle Hamiltonians with long-range hopping, and is saturable for $\textit{α ≤ D/2}$. Our second bound pertains to generic long-range interacting spin Hamiltonians and gives a tight lower bound for the signaling time to extensive subsets of the system for all $\textit{α < D}$. This many-site signaling time lower bounds the scrambling time in strongly long-range interacting systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Crystals of Janus colloids at various interaction ranges

We investigate the effect of interaction range on the phase behaviour of Janus particles with a Kern-Frenkel potential. Specifically, we study interaction ranges Δ = 0.1σ, 0.3σ, 0.4σ, 0.5σ with σ the particle diameter, and use variable box shape simulations to predict crystal structures. We found that changing the interaction range beyond 0.2σ drastically increases the variety of possible crystal structures. In addition to close-packed structures, we find body-centered tetragonal and AA-stacked hexagonal crystals, as well as several lamellar crystals. For long interaction ranges and low temperatures, we also observe an extremely large number of metastable structures which compete with the thermodynamically stable ones. These competing structures hinder the detection of the lowest-energy crystal structures, and are also likely to interfere with the spontaneous formation of the ground-state structure. Finally, we determine the gas-liquid coexistence curves for several interaction ranges, and observe that these are metastable with respect to crystallization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

On the role of long range interactions for the adsorption of sexithiophene on Ag(110) surface

The adsorption characteristics of the sexithiophene (6T) molecule on Ag(110) are studied using density functional theory with the inclusion of van der Waals (vdW) interactions. The stable adsorption configurations on 6T on Ag(110) as well as the nature of bonding the Ag substrate are evaluated. We also assess the performance of the vdW-DF method in describing the adsorption, energetics, heights, as well as the interface characteristics with the Ag(110) surface. We find two lowest adsorption energy configurations, at which the 6T molecule aligns with its molecular long axis parallel and perpendicular to the [001] direction, to be energetically close to each other, suggesting that they may coexist. Our findings indicate a significant increase in the 6T adsorption energies upon the inclusion of vdW interactions with the highest increase obtained using the opt-type functionals, in particular with the optB86b-vdW functional. The revPBE-vdW and rPW86-vdW2 functionals lead to less enhancement in adsorption energies that is attributed to the strong repulsive nature of these functionals, in agreement with earlier predictions. Upon adsorption of the 6T molecule, the changes in the atomic and electronic structures of the 6T molecule and Ag surface are found to be negligible; there is no charge transfer, and no interface state is observed. The work function is reduced upon adsorption with the largest change is ∼0.6 eV obtained using the optB88-vdW functional. The results are in good agreement with the available experimental observations of the adsorption configurations and the work function changes. Based on our results, we conclude that the nature of bonding for 6T on Ag(110) can be classified as strong physisorption.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

Effective short-range interaction for spin-singlet P-wave nucleon-nucleon scattering

Distorted-wave methods are used to remove the effects of one- and two-pion exchange up to order Q{sup 3} from the empirical {sup 1}P{sub 1} phase shift. The one divergence that arises can be renormalized using an order-Q{sup 2} counterterm which is provided by the (Weinberg) power counting appropriate to the effective field theory for this channel. The residual interaction is used to estimate the scale of the underlying physics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Long-range interactions between chiral molecules

Results of molecular quantum electrodynamics calculations of discriminatory interactions between two chiral molecules undergoing resonance energy transfer, van der Waals dispersion, and optical binding are presented. A characteristic feature of the theory is that the radiation field is quantized with signals consequently propagating between centres at the speed of light. In order to correctly describe optically active chromophores, it is necessary to include magnetic as well as electric dipole coupling terms in the time-dependent perturbation theory computations. Recent work investigating the effect of an absorptive and dispersive chiral medium on the rate of migration of energy will also be discussed.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Quantum phase transitions in long-range interacting hyperuniform spin chains in a transverse field

Hyperuniform states of matter are characterized by anomalous suppression of long-wavelength density fluctuations. While most of the interesting cases of disordered hyperuniformity are provided by complex many-body systems such as liquids or amorphous solids, classical spin chains with certain long-range interactions have been shown to demonstrate the same phenomenon. Such spin-chain systems are ideal models for exploring the effects of quantum mechanics on hyperuniformity. It is well-known that the transverse field Ising model shows a quantum phase transition (QPT) at zero temperature. Under the quantum effects of a transverse magnetic field, classical hyperuniform spin chains are expected to lose their hyperuniformity. High-precision simulations of these cases are complicated because of the presence of highly nontrivial long-range interactions. We perform an extensive analysis of these systems using density matrix renormalization group simulations to study the possibilities of phase transitions and the mechanism by which they lose hyperuniformity. Even for a spin chain of length 30, we see discontinuous changes in properties like the “τ order metric” of the ground state, the measure of hyperuniformity, and the second cumulant of the total magnetization along the x-direction, all suggestive of first-order QPTs. An interesting feature of the phase transitions in these disordered hyperuniform spin chains is that, depending on the parameter values, the presence of a transverse magnetic field may lead remarkably to an increase in the order of the ground state as measured by the “τ order metric,” even if hyperuniformity is lost. Therefore, it would be possible to design materials to target specific novel quantum behaviors in the presence of a transverse magnetic field. Our numerical investigations suggest that these spin chains can show no more than two QPTs. We further analyze the long-range interacting spin chains via the Jordan-Wigner mapping onto a system of spinless fermions, showing that under the pairwise-interaction approximation and a mean-field treatment, there can be at most two quantum phase transitions. Here, based on these numerical and theoretical explorations, we conjecture that for spin chains with long-range pair interactions that have convergent cosine transforms, there can be a maximum of two quantum phase transitions at zero temperature.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Infinite matter properties and zero-range limit of non-relativistic finite-range interactions

We discuss some infinite matter properties of two finite-range interactions widely used for nuclear structure calculations, namely Gogny and M3Y interactions. We show that some useful informations can be deduced for the central, tensor and spin–orbit terms from the spin–isospin channels and the partial wave decomposition of the symmetric nuclear matter equation of state. We show in particular that the central part of the Gogny interaction should benefit from the introduction of a third Gaussian and the tensor parameters of both interactions can be deduced from special combinations of partial waves. We also discuss the fact that the spin–orbit of the M3Y interaction is not compatible with local gauge invariance. Finally, we show that the zero-range limit of both families of interactions coincides with the specific form of the zero-range Skyrme interaction extended to higher momentum orders and we emphasize from this analogy its benefits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

The Two-Particle Correlation Function for Systems with Long-Range Interactions

In this paper, we study the truncated two-particle correlation function in particle systems with long range interactions. For Coulombian and soft potentials, we define and give well-posedness results for the equilibrium correlations. In the Coulombian case, we prove the onset of the Debye screening length in the equilibrium correlations, for suitable velocity distributions. Additionally, we give precise estimates on the effective range of interaction between particles. In the case of soft potential interaction the equilibrium correlations and their fluxes in the space of velocities are shown to be linearly stable.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2011

Spin segregation via dynamically induced long-range interactions in a system of ultracold fermions

We investigate theoretically the time evolution of a one-dimensional system of spin-1/2 fermions in a harmonic trap after, initially, a spiral spin configuration far from equilibrium is created. We predict a spin segregation building up in time already for weak interaction under realistic experimental conditions. The effect relies on the interplay between exchange interaction and the harmonic trap, and it is found for a wide range of parameters. It can be understood as a consequence of an effective, dynamically induced long-range interaction that is derived by integrating out the rapid oscillatory dynamics in the trap.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

On the low-temperature behavior of the critical specific heat capacity of an anharmonic crystal with long-range interaction

An exactly solvable lattice model describing structural phase transitions in an anharmonic crystal with long-range interaction (decreasing at large distances r as r{sup −d−σ}, where d is the space dimensionality and 0 < σ ≤ 2) is considered near to its zero-temperature critical point. The low-temperature behavior of the bulk specific heat capacity at the lower classical critical dimension (d = σ) is studied in different regions of the (T, λ)-phase diagram, where T is the temperature and λ is a parameter which switches on quantum fluctuations. From the results obtained one can see that when T → 0{sup +} the specific heat capacity tends to zero in a different way in the regions: (a) renormalized classical region - as T raised to the second power and (b) quantum disordered region - exponentially.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Long-Range Interaction between Molecules with Electronic Degeneracy: Beyond the Born–Oppenheimer Approximation

Long-range intermolecular interaction plays an essential role in (ultra)cold collisions. For monomers with degenerate electronic states, an accurate description of the long-range interaction can be challenging due to the potential breakdown of the Born–Oppenheimer approximation. In this work, we developed a general method to construct long-range interaction potential energy surfaces (IPESs) between arbitrary molecules using the degenerate perturbation theory of Schrödinger. To further simplify the application of this method, a group-theoretical method is introduced to identify nonzero components of electrostatic properties of monomers, especially for the nonlinear molecules. To demonstrate this approach, we report the long-range IPESs of the O( 3 P)–OH( 2 Π) and OH( 2 Π)–OH( 2 Π) systems. The excellent agreement with ab initio calculations in large separations, even near electronic degeneracies, confirms the accuracy of our approach. The method is expected to lay the groundwork for the accurate investigation of (ultra)cold collisional dynamics involving open-shell species.

ab initio calculations↗
DOE OSTI2020

Dynamic response functions of two-dimensional Dirac fermions with screened Coulomb and short-range interactions

Here, we consider a screened Coulomb interaction between electrons in graphene and determine their dynamic response functions, such as a longitudinal and a transverse electric conductivity and a polarization function and compare them to the corresponding quantities in the short-range interaction model. The calculations are performed to all orders for short-range interaction by taking into account the self-energy renormalization of the electron velocity and using a ladder approximation to account for the vertex corrections, ensuring that the Ward identity (charge conservation law) is satisfied. Our findings predict a resonant response of interacting electron-hole pairs at a particular frequency below the threshold $\textit{qv = ω}$ and further predict an instability for sufficiently strong interactions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Long-range interactions and the sign of natural amplitudes in two-electron systems

In singlet two-electron systems, the natural occupation numbers of the one-particle reduced density matrix are given as squares of the natural amplitudes which are defined as the expansion coefficients of the two-electron wave function in a natural orbital basis. In this work, we relate the sign of the natural amplitudes to the nature of the two-body interaction. We show that long-range Coulomb-type interactions are responsible for the appearance of positive amplitudes and give both analytical and numerical examples that illustrate how the long-distance structure of the wave function affects these amplitudes. We further demonstrate that the amplitudes show an avoided crossing behavior as function of a parameter in the Hamiltonian and use this feature to show that these amplitudes never become zero, except for special interactions in which infinitely many of them can become zero simultaneously when changing the interaction strength. This mechanism of avoided crossings provides an alternative argument for the non-vanishing of the natural occupation numbers in Coulomb systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Nonclassical light from finite-range interactions in a two-dimensional quantum mirror

Excitons in a semiconductor monolayer form a collective resonance that can reflect resonant light with extraordinarily high efficiency. We investigate the nonlinear optical properties of such atomistically thin mirrors and show that finite-range interactions between excitons can lead to the generation of highly nonclassical light. We describe two scenarios, in which optical nonlinearities arise either from direct photon coupling to excitons in excited Rydberg states or from resonant two-photon excitation of Rydberg excitons with finite-range interactions. The latter case yields conditions of electromagnetically induced transparency and thereby provides an efficient mechanism for single-photon switching between high transmission and reflectance of the monolayer, with a tunable dynamical timescale of the emerging photon-photon interactions. Remarkably, it turns out that the resulting high degree of photon correlations remains virtually unaffected by Rydberg-state decoherence, in excess of nonradiative decoherence observed for ground-state excitons in two-dimensional semiconductors. This robustness to imperfections suggests a promising approach to quantum photonics at the level of individual photons.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Identification of Amino Acids that Account for Long-Range Interactions in Two Triosephosphate Isomerases from Pathogenic Trypanosomes

For a better comprehension of the structure-function relationship in proteins it is necessary to identify the amino acids that are relevant for measurable protein functions. Because of the numerous contacts that amino acids establish within proteins and the cooperative nature of their interactions, it is difficult to achieve this goal. Thus, the study of protein-ligand interactions is usually focused on local environmental structural differences. Here, using a pair of triosephosphate isomerase enzymes with extremely high homology from two different organisms, we demonstrate that the control of a seventy-fold difference in reactivity of the interface cysteine is located in several amino acids from two structurally unrelated regions that do not contact the cysteine sensitive to the sulfhydryl reagent methylmethane sulfonate, nor the residues in its immediate vicinity. The change in reactivity is due to an increase in the apparent pKa of the interface cysteine produced by the mutated residues. Our work, which involved grafting systematically portions of one protein into the other protein, revealed unsuspected and multisite long-range interactions that modulate the properties of the interface cysteines and has general implications for future studies on protein structure-function relationships.

59 BASIC BIOLOGICAL SCIENCES↗