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At least 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Light resonances and the low-q2 bin of RK*$$ {R}_{K^{*}} $$

LHCb has reported hints of lepton-flavor universality violation in the rare decays $B \to K^{(*)} \ell^+\ell^-$, both in high- and low-$q^2$ bins. Although the high-$q^2$ hint may be explained by new short-ranged interactions, the low-$q^2$ one cannot. We thus explore the possibility that the latter is explained by a new light resonance. We find that LHCb's central value of $R_{K^*}$ in the low-$q^2$ bin is achievable in a restricted parameter space of new-physics scenarios in which the new, light resonance decays preferentially to electrons and has a mass within approximately $10$ MeV of the di-muon threshold. Interestingly, such an explanation can have a kinematic origin and does not require a source of lepton-flavor universality violation. A model-independent prediction is a narrow peak in the differential $B \to K^* e^+e^-$ rate close to the di-muon threshold. If such a peak is observed, other observables, such as the differential $B \to K e^+e^-$ rate and $R_K$, may be employed to distinguish between models. However, if a low-mass resonance is not observed and the low-$q^2$ anomaly increases in significance, then the case for an experimental origin of the lepton-flavor universality violating anomalies would be strengthened. Finally, to further explore this, we also point out that, in analogy to $J/\psi$ decays, $e^+e^-$ and $\mu^+\mu^-$ decays of $\phi$ mesons can be used as a cross check of lepton-flavor universality by LHCb with $5$ fb$^{-1}$ of integrated luminosity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Absence of Barren Plateaus and Scaling of Gradients in the Energy Optimization of Isometric Tensor Network States

Abstract Vanishing gradients can pose substantial obstacles for high-dimensional optimization problems. Here we consider energy minimization problems for quantum many-body systems with extensive Hamiltonians and finite-range interactions, which can be studied on classical computers or in the form of variational quantum eigensolvers on quantum computers. Barren plateaus correspond to scenarios where the average amplitude of the energy gradient decreases exponentially with increasing system size. This occurs, for example, for quantum neural networks and for brickwall quantum circuits when the depth increases polynomially in the system size. Here we prove that the variational optimization problems for matrix product states, tree tensor networks, and the multiscale entanglement renormalization ansatz are free of barren plateaus. The derived scaling properties for the gradient variance provide an analytical guarantee for the trainability of randomly initialized tensor network states (TNS) and motivate certain initialization schemes. In a suitable representation, unitary tensors that parametrize the TNS are sampled according to the uniform Haar measure. We employ a Riemannian formulation of the gradient based optimizations which simplifies the analytical evaluation.

Barthel, Thomas↗
DOE OSTI2018

Effect of Small Fe Content on the Structure, Magnetic and Magnetocaloric Properties of SmNi{sub 3−x}Fe{sub x} (x = 0; 0.3 and 0.8) Intermetallic Compounds

The SmNi{sub 3−x}Fe{sub x} (x = 0; 0.3 and 0.8) were synthesized by arc melting and annealed at 1073 K for 1 week. The Rietveld refinement showed that these compounds crystallize in the PuNi{sub 3}-type structure (R3̄m-Space group) and the substitution of nickel by iron leads to an increase of the unit cell volume. The Curie temperature (T{sub C}) of the SmNi{sub 3−x}Fe{sub x} (x = 0; 0.3 and 0.8) samples increases from 60 K for SmNi{sub 3} to 230 K for SmNi{sub 2.2}Fe{sub 0.8}, the enhancement of T{sub C} is ruled by electronic and magnetovolumic effects. All the samples exhibit a second-order magnetic phase transition at Curie temperature T{sub C}. The magnetic entropy change ΔS{sub M} was estimated from isothermal magnetization curves and it decreases with the increase of Fe content from 2.3 J/kg.K (x = 0) to 0.6 J/kg.K (x = 0.8) at 50 kOe. The critical properties of SmNi{sub 2.7}Fe{sub 0.3} (as an example) intermetallic compound at the ferromagnetic-paramagnetic (FM-PM) transition have been analyzed. The estimated critical exponents derived from the magnetic data using various methods such as modified Arrott plot, Kouvel-Fisher method and critical magnetization isotherms M(T{sub C}, H). The critical exponent values for the material are in a close agreement with those predicted for the mean-field theory. The reason for this behavior may be long-range interactions between spins in this system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

New electric force and charge exchange modules in discrete element model enables particle dynamics simulation in electric field

Discrete element modeling (DEM) is an important technique for particle dynamics simulation. The field of metal additive manufacturing often utilizes DEM to simulate the rheological behaviors of powder. Standard contact and short-range interactions are sufficient in most cases but insufficient to describe the particle dynamics with the influence of an electric field. Modeling such a system requires additional physics to describe the particle–field interactions. The relevant physics has been experimentally understood but is not yet available in DEM. Here, we develop a charge exchange and an electric force module. The electric force module governs particle response to the electric field, while the charge exchange module enables particles to acquire proper charge during contact with charged geometries. We validate the modules against analytical calculations and high-speed videos of electrostatic powder deposition experiments. Notably, the model struggles to capture the initial particle levitation. We later deploy a modified electric field, as supported by static electric field simulation, to better approximate the electric field penetration into the powder layer. This modification improves the model’s capability of simulating realistic particle levitation. The results highlight the challenges of modeling particle behaviors in the electric field while demonstrating the feasibility of obtaining quantitative results, which are difficult to measure experimentally.

charge exchange↗
DOE OSTI2014

A new perspective on the integrability of Inozemtsev’s elliptic spin chain

The aim of this paper is studying from an alternative point of view the integrability of the spin chain with long-range elliptic interactions introduced by Inozemtsev. Our analysis relies on some well-established conjectures characterizing the chaotic vs. integrable behavior of a quantum system, formulated in terms of statistical properties of its spectrum. More precisely, we study the distribution of consecutive levels of the (unfolded) spectrum, the power spectrum of the spectral fluctuations, the average degeneracy, and the equivalence to a classical vertex model. Our results are consistent with the general consensus that this model is integrable, and that it is closer in this respect to the Heisenberg chain than to its trigonometric limit (the Haldane–Shastry chain). On the other hand, we present some numerical and analytical evidence showing that the level density of Inozemtsev’s chain is asymptotically Gaussian as the number of spins tends to infinity, as is the case with the Haldane–Shastry chain. We are also able to compute analytically the mean and the standard deviation of the spectrum, showing that their asymptotic behavior coincides with that of the Haldane–Shastry chain. - Highlights: • Construction of Inozemtsev’s elliptic spin chain using Polychronakos’s freezing trick. • Numerical evidence of the Gaussian character of the level density. • Exact computation and asymptotics of the mean and standard deviation of the spectrum. • Evidence of the chain’s integrability from key statistical properties of its spectrum. • Exact evaluation of finite sums of powers of Weierstrass’s elliptic function.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Floquet–Magnus theory and generic transient dynamics in periodically driven many-body quantum systems

This work explores a fundamental dynamical structure for a wide range of many-body quantum systems under periodic driving. Generically, in the thermodynamic limit, such systems are known to heat up to infinite temperature states in the long-time limit irrespective of dynamical details, which kills all the specific properties of the system. In the present study, instead of considering infinitely long-time scale, we aim to provide a general framework to understand the long but finite time behavior, namely the transient dynamics. In our analysis, we focus on the Floquet–Magnus (FM) expansion that gives a formal expression of the effective Hamiltonian on the system. Although in general the full series expansion is not convergent in the thermodynamics limit, we give a clear relationship between the FM expansion and the transient dynamics. More precisely, we rigorously show that a truncated version of the FM expansion accurately describes the exact dynamics for a certain time-scale. Our theory reveals an experimental time-scale for which non-trivial dynamical phenomena can be reliably observed. We discuss several dynamical phenomena, such as the effect of small integrability breaking, efficient numerical simulation of periodically driven systems, dynamical localization and thermalization. Especially on thermalization, we discuss a generic scenario on the prethermalization phenomenon in periodically driven systems. -- Highlights: •A general framework to describe transient dynamics for periodically driven systems. •The theory is applicable to generic quantum many-body systems including long-range interacting systems. •Physical meaning of the truncation of the Floquet–Magnus expansion is rigorously established. •New mechanism of the prethermalization is proposed. •Revealing an experimental time-scale for which non-trivial dynamical phenomena can be reliably observed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Optimized Lie–Trotter–Suzuki decompositions for two and three non-commuting terms

Lie–Trotter–Suzuki decompositions are an efficient way to approximate operator exponentials exp ( t H ) when H is a sum of n (non-commuting) terms which, individually, can be exponentiated easily. They are employed in time-evolution algorithms for tensor network states, digital quantum simulation protocols, path integral methods like quantum Monte Carlo, and splitting methods for symplectic integrators in classical Hamiltonian systems. Here, we provide optimized decompositions up to order t 6 . The leading error term is expanded in nested commutators (Hall bases) and we minimize the 1-norm of the coefficients. For n = 2 terms, several of the optima we find are close to those in McLachlan (1995). Generally, our results substantially improve over unoptimized decompositions by Forest, Ruth, Yoshida, and Suzuki. We explain why these decompositions are sufficient to efficiently simulate any one- or two-dimensional lattice model with finite-range interactions. This follows by solving a partitioning problem for the interaction graph.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2010

Thickness sensing of hMSCs on collagen gel directs stem cell fate

Research highlights: {yields} hMSCs appeared to sense thin collagen gel (130 {mu}m) with higher effective modulus as compared to thick gel (1440 {mu}m). {yields} Control of collagen gel thickness can modulate cellular behavior, even stem cell fate (neuronal vs. Quiescent). {yields} Distinct cellular behavior of hMSCs on thin and thick collagen gel suggests long range interaction of hMSCs with collagen gel. -- Abstract: Mechanically compliant substrate provides crucial biomechanical cues for multipotent stem cells to regulate cellular fates such as differentiation, proliferation and maintenance of their phenotype. Effective modulus of which cells sense is not only determined by intrinsic mechanical properties of the substrate, but also the thickness of substrate. From our study, it was found that interference from underlying rigid support at hundreds of microns away could induce significant cellular response. Human mesenchymal stem cells (hMSCs) were cultured on compliant biological gel, collagen type I, of different thickness but identical ECM composition and local stiffness. The cells sensed the thin gel (130 {mu}m) as having a higher effective modulus than the thick gel (1440 {mu}m) and this was reflected in their changes in morphology, actin fibers structure, proliferation and tissue specific gene expression. Commitment into neuronal lineage was observed on the thin gel only. Conversely, the thick gel (1440 {mu}m) was found to act like a substrate with lower effective modulus that inhibited actin fiber polymerization. Stem cells on the thick substrate did not express tissue specific genes and remained at their quiescent state. This study highlighted the need to consider not only the local modulus but also the thickness of biopolymer gel coating during modulation of cellular responses.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

Extending Discrete Exterior Calculus to a Fractional Derivative

Fractional partial differential equations (FDEs) are used to describe phenomena that involve a “non-local” or “long-range” interaction of some kind. Accurate and practical numerical approximation of their solutions is challenging due to the dense matrices arising from standard discretization procedures. In this paper, we begin to extend the well-established computational toolkit of Discrete Exterior Calculus (DEC) to the fractional setting, focusing on proper discretization of the fractional derivative. We define a Caputo-like fractional discrete derivative, in terms of the standard discrete exterior derivative operator from DEC, weighted by a measure of distance between $p$-simplices in a simplicial complex. We discuss key theoretical properties of the fractional discrete derivative and compare it to the continuous fractional derivative via a series of numerical experiments.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Tackling the curse of dimensionality in fractional and tempered fractional PDEs with physics-informed neural networks

Fractional and tempered fractional partial differential equations (PDEs) are effective models of long-range interactions, anomalous diffusion, and non-local effects. Traditional numerical methods for these problems are mesh-based, thus struggling with the curse of dimensionality (CoD). Physics-informed neural networks (PINNs) offer a promising solution due to their universal approximation, generalization ability, and mesh-free training. In principle, Monte Carlo fractional PINN (MC-fPINN) estimates fractional derivatives using Monte Carlo methods and thus could lift CoD. However, this may cause significant variance and errors, hence affecting convergence; in addition, MC-fPINN is sensitive to hyperparameters. In general, numerical methods and specifically PINNs for tempered fractional PDEs are under-developed. Herein, we extend MC-fPINN to tempered fractional PDEs to address these issues, resulting in the Monte Carlo tempered fractional PINN (MC-tfPINN). To reduce possible high variance and errors from Monte Carlo sampling, we replace the one-dimensional (1D) Monte Carlo with 1D Gaussian quadrature, applicable to both MC-fPINN and MC-tfPINN. We validate our methods on various forward and inverse problems of fractional and tempered fractional PDEs, scaling up to 100,000 dimensions. Our improved MC-fPINN/MC-tfPINN using quadrature consistently outperforms the original versions in accuracy and convergence speed in very high dimensions.

42 ENGINEERING↗
DOE OSTI2025

An end-to-end deep learning method for solving nonlocal Allen–Cahn and Cahn–Hilliard phase-field models

Here, we propose an efficient end-to-end deep learning method for solving nonlocal Allen–Cahn (AC) and Cahn–Hilliard (CH) phase-field models. One motivation for this effort emanates from the fact that discretized partial differential equation-based AC or CH phase-field models result in diffuse interfaces between phases, with the only recourse for remediation is to severely refine the spatial grids in the vicinity of the true moving sharp interface whose width is determined by a grid-independent parameter that is substantially larger than the local grid size. In this work, we introduce non-mass conserving nonlocal AC or CH phase-field models with regular, logarithmic, or obstacle double-well potentials. Because of non-locality, some of these models feature totally sharp interfaces separating phases. The discretization of such models can lead to a transition between phases whose width is only a single grid cell wide. Another motivation is to use deep learning approaches to ameliorate the otherwise high cost of solving discretized nonlocal phase-field models. To this end, loss functions of the customized neural networks are defined using the residual of the fully discrete approximations of the AC or CH models, which results from applying a Fourier collocation method and a temporal semi-implicit approximation. To address the long-range interactions in the models, we tailor the architecture of the neural network by incorporating a nonlocal kernel as an input channel to the neural network model. We then provide the results of extensive computational experiments to illustrate the accuracy, predictive capabilities, and cost reductions of the proposed method.

42 ENGINEERING↗
DOE OSTI2021

Kink-antikink collisions and multi-bounce resonance windows in higher-order field theories

In this work, we study collisions of coherent structures in higher-order field-theoretic models, such as the Φ 8 , Φ 10 and Φ 12 ones. The main distinguishing feature, of the example models considered herein, is that the collision arises due to the long-range interacting algebraic tails of these solitary waves. We extend the approach to suitably initialize the relevant kinks, in the additional presence of finite initial velocity, in order to minimize the dispersive wave radiation potentially created by their slow spatial decay. We find that, when suitably initialized, these models still feature the multi-bounce resonance windows earlier found in models in which the kinks bear exponential tails, such as the Φ 4 and Φ 6 field theories among others. Also present is the self-similar structure of the associated windows with three- and more-bounce windows at the edges of two- and lower-bounce ones. Moreover, phenomenological but highly accurate (and predictive), scaling relations are derived for the dependence of the time between consecutive collisions and, e.g., the difference in kinetic energy between the incoming one and the critical one for one-bounces. Such scalings are traced extensively over two-bounce collision windows throughout the three models, hinting at the possibility of an analytical theory in this direction.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Magnetocaloric properties of cluster glass compound Pr 2 Ni 0.95 Si 2.95

Here, we report the magnetocaloric properties of a hexagonal intermetallic compound Pr 2 Ni 0.95 Si 2.95 that exhibits spin cluster glass behaviour below 3.3 K. At lower temperature, the compound undergoes magnetic field induced metamagnetic transition beyond 5 kOe applied field value as inferred from the temperature dependence of magnetization at various fields as well as isothermal magnetization measurements. The temperature dependence of magnetic entropy change (-ΔS M ) has been estimated from the magnetization data and the maximum value is found to be 7.9 J/kg-K for a magnetic field change of 70 kOe. Interestingly, although the compound does not undergo any long range magnetic ordering, it exhibits considerable magnetocaloric effect in a temperature region much above the spin freezing due to the presence of short range magnetic correlation that persists up to much higher temperature. The suppression of short range interaction with the application of magnetic field has been argued to be responsible for such magnetic entropy change and adiabatic temperature change over a large temperature scale.

36 MATERIALS SCIENCE↗
DOE OSTI2010

Investigation of Cu coatings deposited by kinetic metallization

Interfacial characterisation of Kinetic Metallization (KM) sprayed Cu coatings applied on metal substrates was performed using optical and electron microscopy, as well as microindentation hardness testing and microchemical analysis. The interfacial characterisation of KM coatings remains scarce to date. Cross sectional observations of KM coatings on light metal substrates revealed an undulating, patelliform profile with thin-lipped cusps at the interface. Pure Al and Mg substrates exhibited a mechanically impinged zone <{approx}5 {mu}m on the substrate material, approximately the size of deformed Cu powder particles. Examination of the Cu side of the interface indicated there was no long range interaction in the coating. On the substrate side of the interface, the KM process induced phase transformations (i.e. recrystallisation and an alloyed zone) in thin layers contiguous to the interface on pure Al and Mg substrates. Zones of elemental interdiffusion were identified at the interface upon Al and Mg substrates using scanning TEM. The width of intermixing zones was in the vicinity of < 1 {mu}m. This metallurgical interaction at the interface occurred on the length scales involving the initial single layer of Cu particles bonded on the substrate.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Surface spins enhanced magnetoelectric coefficient and impedance spectroscopy of BaFe{sub 0.01}Ti{sub 0.99}O{sub 3} and BaFe{sub 0.015}Ti{sub 0.985}O{sub 3} nanorods

Highlights: • Multiferroic Fe-doped BaTiO{sub 3} nanorods. • Sol–gel. • Magnetoelectric coefficient. • Transmission electron microscopy. • Cole–Cole plots. - Abstract: Multiferroic BaFe{sub 0.01}Ti{sub 0.99}O{sub 3} (BFT1) and BaFe{sub 0.015}Ti{sub 0.985}O{sub 3} (BFT15) nanorods were prepared by a sol–gel synthesis and annealed at 700 °C/2 h. The tetragonal phase and nano dimensions of BFT samples are identified by X-ray diffraction and transmission electron microscopy. The enhancement in ferroelectricity depends upon low porosity, tetragonal phase, space charge field, larger surface area and oriented growth. The ferromagnetism depends upon partially filled inner shells, surface spins and oxygen vacancies. The magnetoelectric coefficient is explained on the basis of surface spins, short-range interactions near surface boundary, compressive stress and twin structure contributed by nano grains which can reside stress near grain boundaries. The frequency dependent real (Z′) and imaginary (Z″) parts of impedance spectra are confirmed by the variations that observed in dielectric properties. The values of resistance of grain boundaries, R{sub gb} is higher than grains, R{sub g} indicating that the effect of grain boundaries is dominant in BFT nanorods.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

Modeling dissociation of ionic liquids with electrolyte NRTL model

Dissociation of ionic liquids (ILs) is critical to electrochemical process performance by affecting ionic conductivity. Prior studies of thermodynamic modeling either assumed no dissociation or complete dissociation that were not consistent with experimental observations. This work presented an eNRTL model for three aqueous imidazolium-based IL systems: [Emim][EtSO 4 ], [Emim][TFA], and [Emim][TfO]. The model accurately correlates the IL dissociation and VLE data in the entire concentration range from pure IL to infinite dilution aqueous solution. The system non-ideality is dominated by the dissociation chemistry. Dissociation behavior is driven by strong short-range interaction of the molecular IL-water pair relative to the dissociated IL-water pair, consistent with prior studies indicating that molecular IL and water can form an energetically favorable complex. The interaction energy parameters calculated in this work qualitatively agrees with the hydrogen bonding ability of the anions previously reported. This research not only provides a model that well describes the IL dissociation but also demonstrates the physical significance of eNRTL model.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Mesons in strong magnetic fields: (I) General analyses

Here, we study properties of neutral and charged mesons in strong magnetic fields |eB| >> Λ 2 QCD with Λ QCD being the QCD renormalization scale. Assuming long-range interactions, we examine magnetic-field dependences of various quantities such as the constituent quark mass, chiral condensate, meson spectra, and meson wavefunctions by analyzing the Schwinger–Dyson and Bethe–Salpeter equations. Based on the density of states obtained from these analyses, we extend the hadron resonance gas (HRG) model to investigate thermodynamics at large B. As B increases the meson energy behaves as a slowly growing function of the meson's transverse momenta, and thus a large number of meson states is accommodated in the low energy domain; the density of states at low temperature is proportional to B 2 . This extended transverse phase space in the infrared regime significantly enhances the HRG pressure at finite temperature, so that the system reaches the percolation or chiral restoration regime at lower temperature compared to the case without a magnetic field; this simple picture would offer a gauge invariant and intuitive explanation of the inverse magnetic catalysis.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Lectures on statistical mechanics

Presented here is a transcription of the lecture notes from Professor Allan N. Kaufman’s graduate statistical mechanics course Physics 212A and 212B at the University of California Berkeley from the 1972–1973 academic year. 212A addressed equilibrium statistical mechanics with topics: fundamentals (micro-canonical and sub-canonical ensembles, adiabatic law and action conservation, fluctuations, pressure, and virial theorem), classical fluids and other systems (equation of state, deviations from ideality, virial coefficients and van der Waals potential, canonical ensemble and partition function, quasistatic evolution, grand-canonical ensemble and partition function, chemical potential, simple model of a phase transition, quantum virial expansion, numerical simulation of equations of state, and phase transition), chemical equilibrium (systems with multiple species and chemical reactions, law of mass action, Saha equation, chemical equilibrium including ionization and excited states), and long-range interactions (including Coulomb, dipole, and gravitational interactions, Debye–Hückel theory, and shielding). 212B addressed nonequilibrium statistical mechanics with topics: fundamentals (definitions: realizations, moments, characteristic function, and discrete variables), Brownian motion (Langevin equation, fluctuation–dissipation theorem, spatial diffusion, Boltzmann’s H-theorem), Liouville and Klimontovich equations, Landau equation (derivation, elaboration, and H-theorem, and irreversibility), Markov processes and Fokker–Planck equation (derivations of the Fokker–Planck equation and a master equation), linear response and transport theory (linear Boltzmann equation, linear response theory of Kubo and Mori, relation of entropy production to electrical conductivity, transport relations and coefficients, normal mode solutions of the transport equations, sketch of a generalized Langevin equation method for transport theory), and an introduction to nonequilibrium quantum statistical mechanics.

plasma dynamics↗