Aggregation dynamics of active rotating particles in dense passive media
Active matter systems are able to exhibit emergent non-equilibrium behavior due to activity-induced effective interactions between the active particles.
36 MATERIALS SCIENCE↗
SEARCH · Engineering Papers
Results for “effective interactions”
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.
Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.
Exclusive pi- Electroproduction off the Neutron in Deuterium in the Resonance Region
The goal of our research is to provide the exclusive γ*(n) → p+π− reaction cross section from deuterium data using the correction factor that account for the final state re-scattering that can be determined from the data set itself. The “e1e” Jefferson Lab CLAS data set that we analyze includes both a hydrogen and deuterium target run period, which allows a combined analysis of pion electroproduction off the free proton, the bound proton, and the bound neutron under the same experimental conditions. Hence it will provide the experimentally best possible information about the off-shell and final state interaction effects in deuterium, which must be considered in order to extract the neutron information. This data set will provide results with a kinematic coverage for the hadronic invariant mass W up to 1.7 GeV and in the momentum transfer Q2 range of 0.4 − 1.0 GeV/c2. The cross section analysis of this data set is currently underway, which will considerably improve our knowledge of the Q2 evolution of π−p electroproduction cross sections off bound neutron needed for the extraction of excited neutron state electrocouplings for the first time.
Tian, Ye↗
Bringing heterogeneity to the CMS software framework
The advent of computing resources with co-processors, for example Graphics Processing Units (GPU) or Field-Programmable Gate Arrays (FPGA), for use cases like the CMS High-Level Trigger (HLT) or data processing at leadership-class supercomputers imposes challenges for the current data processing frameworks. These challenges include developing a model for algorithms to offload their computations on the co-processors as well as keeping the traditional CPU busy doing other work. The CMS data processing framework, CMSSW, implements multithreading using the Intel Threading Building Blocks (TBB) library, that utilizes tasks as concurrent units of work. In this paper we will discuss a generic mechanism to interact effectively with non-CPU resources that has been implemented in CMSSW. In addition, configuring such a heterogeneous system is challenging. In CMSSW an application is configured with a configuration file written in the Python language. The algorithm types are part of the configuration. The challenge therefore is to unify the CPU and co-processor settings while allowing their implementations to be separate. We will explain how we solved these challenges while minimizing the necessary changes to the CMSSW framework. We will also discuss on a concrete example how algorithms would offload work to NVIDIA GPUs using directly the CUDA API.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Employing Technology to Enable Remote Research Charrettes as a Method for Engaging Industry and Uncovering Best Practices: A Novel Approach for a Post-COVID-19 World
Methods to collect data in construction engineering and management (CEM) research are evolving, informed by recent technological advancements. One such method is research charrettes that allow effective interactions and knowledge sharing between expert industry practitioners and academic researchers, all colocated in a single venue, enabling rich data collection and live communication. A pivot point in technological evolution occurred with the COVID-19 pandemic, forcing a global shift to remote work. Hence, planned in-person research charrettes had to shift to remote sessions, relying on virtual conferencing platforms and online data collection mechanisms. Technology-enabled charrettes have allowed the authors to collect significantly richer data sets and ensure a more diverse representation of participants, while saving tremendous amounts of time. With the continuing emergence of technological applications, the world might not go back to functioning fully in person. The authors believe remote research charrettes (RRCs) will still be used in a post-COVID-19 world because of their superior performance. This paper builds on a previous publication that described traditional research charrettes as a method to enhance CEM research a decade ago; it offers a significantly updated and improved RRC method based on the knowledge gained from transitioning a dozen in-person charrettes into RRCs. It also presents performance comparisons between RRCs and traditional charrettes by quantifying metrics indicating how RRCs are more time-efficient and cost-saving, harness more participants from more diverse locations, and enable the collection of richer data sets and four times more industry comments and expert feedback. This paper also provides guidance on the integration of technology with traditional research charrettes, hence contributing to the CEM body of knowledge.
42 ENGINEERING↗
Phase space path-integral formulation of the above-threshold ionization
Atoms and molecules submitted to a strong laser field can emit electrons of high energies in the above-threshold ionization (ATI) process. This process finds a highly intuitive and also quantitative explanation in terms of Feynman's path integral and the concept of quantum orbits [P. Salieres et al., Science 292, 902 (2001)]. However, the connection with the Feynman path-integral formalism is explained only by intuition and analogy and within the so-called strong-field approximation (SFA). Using the phase space path-integral formalism we have obtained an exact result for the momentum-space matrix element of the total time-evolution operator. Applying this result to the ATI we show that the SFA and the so-called improved SFA are, respectively, the zeroth- and the first-order terms of the expansion in powers of the laser-free effective interaction of the electron with the rest of the atom (molecule). We have also presented the second-order term of this expansion which is responsible for the ATI with double scattering of the ionized electron.
74 ATOMIC AND MOLECULAR PHYSICS↗
Multi-layer Potfit: An accurate potential representation for efficient high-dimensional quantum dynamics
The multi-layer multi-configuration time-dependent Hartree method (ML-MCTDH) is a highly efficient scheme for studying the dynamics of high-dimensional quantum systems. Its use is greatly facilitated if the Hamiltonian of the system possesses a particular structure through which the multi-dimensional matrix elements can be computed efficiently. In the field of quantum molecular dynamics, the effective interaction between the atoms is often described by potential energy surfaces (PES), and it is necessary to fit such PES into the desired structure. For high-dimensional systems, the current approaches for this fitting process either lead to fits that are too large to be practical, or their accuracy is difficult to predict and control. This article introduces multi-layer Potfit (MLPF), a novel fitting scheme that results in a PES representation in the hierarchical tensor (HT) format. The scheme is based on the hierarchical singular value decomposition, which can yield a near-optimal fit and give strict bounds for the obtained accuracy. Here, a recursive scheme for using the HT-format PES within ML-MCTDH is derived, and theoretical estimates as well as a computational example show that the use of MLPF can reduce the numerical effort for ML-MCTDH by orders of magnitude, compared to the traditionally used POTFIT representation of the PES. Moreover, it is shown that MLPF is especially beneficial for high-accuracy PES representations, and it turns out that MLPF leads to computational savings already for comparatively small systems with just four modes.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Interpenetration and stagnation in colliding laser plasmas
We have investigated plasma stagnation and interaction effects in colliding laser-produced plasmas. For generating colliding plasmas, two split laser beams were line-focused onto a hemi-circular target and the seed plasmas so produced were allowed to expand in mutually orthogonal directions. This experimental setup forced the expanding seed plasmas to come to a focus at the center of the chamber. The interpenetration and stagnation of plasmas of candidate fusion wall materials, viz., carbon and tungsten, and other materials, viz., aluminum, and molybdenum were investigated in this study. Fast-gated imaging, Faraday cup ion analysis, and optical emission spectroscopy were used for diagnosing seed and colliding plasma plumes. Our results show that high-Z target (W, Mo) plasma ions interpenetrate each other, while low-Z (C, Al) plasmas stagnate at the collision plane. For carbon seed plasmas, an intense stagnation was observed resulting in longer plasma lifetime; in addition, the stagnation layer was found to be rich with C{sub 2} dimers.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Influence of ponderomotive force on the microwave and plasma interaction in an elliptical waveguide
The interaction effect of a high-power microwave with the plasma in an elliptical waveguide taking into account the ponderomotive force is presented. Here, we assume the fundamental mode that propagates in an evacuated elliptical waveguide and encounters a plasma, which is filled in another elliptical waveguide of the same size. Here, we consider a balance between the effects of ponderomotive force and the electron pressure and consider the plasma effect through its dielectric permittivity because the electron density distribution of the plasma is modified. The propagation of the mode is described by two nonlinear coupled differential equations obtained using the Maxwell's equations. These equations are solved numerically using fourth order Runge-Kutta method for the field amplitude of the microwave in the waveguide considering the waveguide to be made up of a perfect conductor and filled with homogeneous plasma density distribution. The effects of the electron temperature, the microwave filed, and the frequency on the perturbed density profile are studied.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Magnetism in undoped ZnS studied from density functional theory
The magnetic property induced by the native defects in ZnS bulk, thin film, and quantum dots are investigated comprehensively based on density functional theory within the generalized gradient approximation + Hubbard U (GGA + U) approach. We find the origin of magnetism is closely related to the introduction of hole into ZnS systems. The relative localization of S-3p orbitals is another key to resulting in unpaired p-electron, due to Hund's rule. For almost all the ZnS systems under study, the magnetic moment arises from the S-dangling bonds generated by Zn vacancies. The charge-neutral Zn vacancy, Zn vacancy in 1− charge sate, and S vacancy in the 1+ charge sate produce a local magnetic moment of 2.0, 1.0, and 1.0 μ{sub B}, respectively. The Zn vacancy in the neutral and 1− charge sates are the important cause for the ferromagnetism in ZnS bulk, with a Curie temperature (T{sub C}) above room temperature. For ZnS thin film with clean (111) surfaces, the spins on each surface are ferromagnetically coupled but antiferromagnetically coupled between two surfaces, which is attributable to the internal electric field between the two polar (111) surfaces of the thin film. Only surface Zn vacancies can yield local magnetic moment for ZnS thin film and quantum dot, which is ascribed to the surface effect. Interactions between magnetic moments on S-3p states induced by hole-doping are responsible for the ferromagnetism observed experimentally in various ZnS samples.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Extreme optical confinement in a slotted photonic crystal waveguide
Using Optical Coherence Tomography, we measure the attenuation of slow light modes in slotted photonic crystal waveguides. When the group index is close to 20, the attenuation is below 300 dB cm{sup −1}. Here, the optical confinement in the empty slot is very strong, corresponding to an ultra-small effective cross section of 0.02 μm{sup 2}. This is nearly 10 times below the diffraction limit at λ = 1.5 μm, and it enables an effective interaction with a very small volume of functionalized matter.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Water transport through functionalized nanotubes with tunable hydrophobicity
Molecular dynamics simulations are used to study the occupancy and flow of water through nanotubes comprised of hydrophobic and hydrophilic atoms, which are arranged on a honeycomb lattice to mimic functionalized carbon nanotubes (CNTs). We consider single-file motion of TIP3P water through narrow channels of (6,6) CNTs with varying fractions (f) of hydrophilic atoms. Various arrangements of hydrophilic atoms are used to create heterogeneous nanotubes with separate hydrophobic/hydrophilic domains along the tube as well as random mixtures of the two types of atoms. The water occupancy inside the nanotube channel is found to vary nonlinearly as a function of f, and a small fraction of hydrophilic atoms (f ≈ 0.4) are sufficient to induce spontaneous and continuous filling of the nanotube. Interestingly, the average number of water molecules inside the channel and water flux through the nanotube are less sensitive to the specific arrangement of hydrophilic atoms than to the fraction, f. Two different regimes are observed for the water flux dependence on f – an approximately linear increase in flux as a function of f for f < 0.4, and almost no change in flux for higher f values, similar to the change in water occupancy. We are able to define an effective interaction strength between nanotube atoms and water's oxygen, based on a linear combination of interaction strengths between hydrophobic and hydrophilic nanotube atoms and water, that can quantitatively capture the observed behavior.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Ultra-high Q even eigenmode resonance in terahertz metamaterials
We report the simultaneous excitation of the odd and the even eigenmode resonances in a periodic array of square split-ring resonators, with four resonators per unit cell. When the electric field is parallel to their gaps, only the two well-studied odd eigenmodes are excited. As the resonators are rotated relative to one another, we observe the emergence and excitation of an extremely sharp even eigenmode. In uncoupled split-ring resonators, this even eigenmode is typically radiative in nature with a broad resonance linewidth and low Q-factor. However, in our coupled system, for specific range of rotation angles, our simulations revealed a remarkably high quality factor (Q ∼ 100) for this eigenmode, which has sub-radiant characteristics. This type of quad-supercell metamaterial offers the advantage of enabling access to all the three distinct resonance features of the split-ring resonator, which consists of two odd eigenmodes in addition to the high-Q even eigenmode, which could be exploited for high performance multiband filters and absorbers. The high Q even eigenmode could find applications in designing label free bio-sensors and for studying the enhanced light matter interaction effects.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Theoretical study on electromagnetically induced transparency in molecular aggregate models using quantum Liouville equation method
Electromagnetically induced transparency (EIT), which is known as an efficient control method of optical absorption property, is investigated using the polarizability spectra and population dynamics obtained by solving the quantum Liouville equation. In order to clarify the intermolecular interaction effect on EIT, we examine several molecular aggregate models composed of three-state monomers with the dipole-dipole coupling. On the basis of the present results, we discuss the applicability of EIT in molecular aggregate systems to a new type of optical switch.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Communication: Surface-to-bulk diffusion of isolated versus interacting C atoms in Ni(111) and Cu(111) substrates: A first principle investigation
Using first principle calculations, we study the surface-to-bulk diffusion of C atoms in Ni(111) and Cu(111) substrates, and compare the barrier energies associated with the diffusion of an isolated C atom versus multiple interacting C atoms. We find that the preferential Ni-C bonding over C–C bonding induces a repulsive interaction between C atoms located at diagonal octahedral voids in Ni substrates. This C–C interaction accelerates C atom diffusion in Ni with a reduced barrier energy of ∼1 eV, compared to ∼1.4-1.6 eV for the diffusion of isolated C atoms. The diffusion barrier energy of isolated C atoms in Cu is lower than in Ni. However, bulk diffusion of interacting C atoms in Cu is not possible due to the preferential C–C bonding over C–Cu bonding, which results in C–C dimer pair formation near the surface. The dramatically different C–C interaction effects within the different substrates explain the contrasting growth mechanisms of graphene on Ni(111) and Cu(111) during chemical vapor deposition.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Isospin-symmetry-breaking effects in A∼70 nuclei within beyond-mean-field approach
Particular isospin-symmetry-breaking probes including Coulomb energy differences (CED), mirror energy differences (MED), and triplet energy differences (TED) manifest anomalies in the A∼70 isovector triplets of nuclei. The structure of proton-rich nuclei in the A∼70 mass region suggests shape coexistence and competition between pairing correlations in different channels. Recent results concerning the interplay between isospin-mixing and shape-coexistence effects on exotic phenomena in A∼70 nuclei obtained within the beyond-mean-field complex Excited Vampir variational model with symmetry projection before variation using a realistic effective interaction in a relatively large model space are presented. Excited Vampir predictions concerning the Gamow-Teller β decay to the odd-odd N=Z {sup 66}As and {sup 70}Br nuclei correlated with the pair structure analysis in the T=1 and T=0 channel of the involved wave functions are discussed.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Strangeness driven phase transitions in compressed baryonic matter and their relevance for neutron stars and core collapsing supernovae
We discuss the thermodynamics of compressed baryonic matter with strangeness within non-relativistic mean-field models with effective interactions. The phase diagram of the full baryonic octet under strangeness equilibrium is built and discussed in connection with its relevance for core-collapse supernovae and neutron stars. A simplified framework corresponding to (n, p, Λ)(+e)-mixtures is employed in order to test the sensitivity of the existence of a phase transition on the (poorely constrained) interaction coupling constants and the compatibility between important hyperonic abundances and 2M{sub ⊙} neutron stars.
79 ASTRONOMY AND ASTROPHYSICS↗
The circular polarization inversion in δ〈Mn〉/InGaAs/GaAs light-emitting diodes
We investigated light-emitting diodes consisting of an InGaAs/GaAs quantum well adjacent to a ferromagnetic δ〈Mn〉-layer. The magnetic field-dependent circular polarization obtained from both photo- and electroluminescence shows an unusual sign inversion depending on the growth parameters that can be explained by an interplay of the Zeeman splitting and Mn-hole interaction effects. Our results can help to understand the origin and control of the spin polarization on Mn doped GaAs structures, a fundamental step for the development of Mn-based spintronic devices.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Superconducting state parameters of monovalent and polyvalent amorphous
In the present study deals, we have calculated superconducting state parameter (SSP) like electron-phonon coupling strength λ, coulomb pseudo potential, μ*, transition temperature Tc, isotope effect exponent α and effective interaction strength N{sub 0}V of monovalent (Li), divalent (Zn), trivalent (In) and tetravalent (Pb) amorphous. To carry out this work we have used our newly constructed model pseudo potential to describe electron ion interaction along with three different local field correction functions like Hartree, Taylor and Sarkar et al. The present results are found in good agreement with other available theoretical as well as experimental data.
36 MATERIALS SCIENCE↗