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At least 775 records · Page 43

Density-matrix approach for sequential dissociative double ionization of molecules

Intense femtosecond infrared (IR) laser pulses have been used in recent years to study the breakup dynamics of molecules. However, observables such as kinetic energy release and branching ratios of molecular fragments are often difficult to predict by theory, making information of the molecular dynamics difficult to retrieve. In this work, we develop a simple model for sequential double ionization of molecules based on a density-matrix approach. The model describes tunneling ionization of the neutral and the ion as well as laser couplings between the ionic states simultaneously. Population of different doubly charged states can be obtained at a low computational cost. Furthermore, we applied our model to N 2 and obtained a good agreement on the kinetic energy release spectrum with a previous experiment. This theoretical development could open up the opportunities to use intense short IR laser pulses with coincidence measurement to probe molecular dynamics.

74 ATOMIC AND MOLECULAR PHYSICS↗

Anisotropy in Thermal Conductivity of Ga2O3 under Irradiation: Ab-initio Investigations

Ga2O3 is a wide-bandgap semiconducting material known for its high breakdown electric field and thermal stability. Its various crystalline forms have shown great potential in power electronics, optoelectronics, and high-temperature applications. Specifically, ß-Ga2O3 has been recognized for its suitability in neutron and gamma radiation detection, making it ideal for sensor and detector applications [1]. Notably, ß-Ga2O3 exhibits anisotropic thermal conductivity, meaning that the magnitude of thermal conductivity varies with the crystallographic direction [2]. Under neutron irradiation, Ga2O3 undergoes a significant phenomenon, resulting in the formation of Helium bubbles within its crystalline matrix. The presence of Helium in Ga2O3 has been found to influence the material's anisotropic thermal conductivity. In this study, the objectives were twofold: firstly, to employ Density Functional Theory (DFT) to determine the most probable sites of Helium occupation in ß-Ga2O3, and secondly, to investigate the anisotropic variation in thermal conductivity when Helium is present in the crystalline matrix of ß-Ga2O3. These ab-initio DFT studies provide crucial insights into understanding the behavior of Helium in Ga2O3 and its impact on thermal conductivity, which can contribute to further advancements in sensor and detector applications based on this wide-bandgap semiconductor.

36 MATERIALS SCIENCE↗

Strong CP and flavor in multi-Higgs theories

We introduce a class of multi-Higgs doublet extensions of the Standard Model that solve the strong problem with profound consequences for the flavor sector. The Yukawa matrices are constrained to have many zero entries by a “Higgs-flavor” symmetry, , that acts on Higgs and quark fields. The violation of both and occurs in the Higgs mass matrix so that, for certain choices of charges, the strong parameter is zero at tree level. Radiative corrections to are computed in this class of theories. They vanish in realistic two-Higgs doublet models with . We also construct realistic three-Higgs models with , where the one-loop results for are model-dependent. Requiring has important implications for the flavor problem by constraining the Yukawa coupling and Higgs mass matrices. Contributions to from higher-dimension operators are computed at one loop and can also be sufficiently small, although the hierarchy problem of this class of theories is worse than in the Standard Model.

Hall, Lawrence↗

The trellis complexity of convolutional codes

It has long been known that convolutional codes have a natural, regular trellis structure that facilitates the implementation of Viterbi's algorithm. It has gradually become apparent that linear block codes also have a natural, though not in general a regular, 'minimal' trellis structure, which allows them to be decoded with a Viterbi-like algorithm. In both cases, the complexity of the Viterbi decoding algorithm can be accurately estimated by the number of trellis edges per encoded bit. It would, therefore, appear that we are in a good position to make a fair comparison of the Viterbi decoding complexity of block and convolutional codes. Unfortunately, however, this comparison is somewhat muddled by the fact that some convolutional codes, the punctured convolutional codes, are known to have trellis representations that are significantly less complex than the conventional trellis. In other words, the conventional trellis representation for a convolutional code may not be the minimal trellis representation. Thus, ironically, at present we seem to know more about the minimal trellis representation for block than for convolutional codes. In this article, we provide a remedy, by developing a theory of minimal trellises for convolutional codes. (A similar theory has recently been given by Sidorenko and Zyablov). This allows us to make a direct performance-complexity comparison for block and convolutional codes. A by-product of our work is an algorithm for choosing, from among all generator matrices for a given convolutional code, what we call a trellis-minimal generator matrix, from which the minimal trellis for the code can be directly constructed. Another by-product is that, in the new theory, punctured convolutional codes no longer appear as a special class, but simply as high-rate convolutional codes whose trellis complexity is unexpectedly small.

Mceliece, R. J.↗

A Micro-Mechanical Constitutive Model to Predict Hygrothermal Aging of Cross-Linked Polymers

Abstract A multi-physics material model is presented to describe the effects of temperature, oxygen, and humidity on the constitutive response of cross-linked polymers. The effect of hygrothermal damage on the mechanical integrity of the polymer matrix can be considered as the result of damage accumulation of two independent aging mechanism namely, i) thermo-oxidative, and ii) hydrolytic aging. In order to capture the mutual effects of thermo-oxidative and hydrolytic aging, an assumption has been made that each of the aging phenomenon can be superposed to each other. In fact, each of them works independently and as a result, they can compete with each other. Utilizing the theory of network decomposition, all phenomena and their correlation were modeled and thus, the strain energy function of the polymer matrix is written with respect to four independent mechanisms, i) the shrinking original matrix that has neither been attacked by water nor oxygen, ii) conversion of the first network to two new network due to the reduction and formation of cross-links, and iii) energy loss from network degradation due to attack of the water molecules to polymer active agents. Moreover, the proposed model is micro-mechanically based and is mainly relevant on thin samples due to our underlying assumption of homogeneous diffusion of oxygen and water throughout the matrix. The model has been validated against extensive data-sets obtained from experiments we specifically designed for concept validation.

Bahrololoumi, Amir↗

Moments of parton distribution functions of any order from lattice QCD

We describe a procedure to determine moments of parton distribution functions of any order in lattice quantum chromodynamics (QCD). The procedure is based on the gradient flow for fermion and gauge fields. The flowed matrix elements of twist-2 operators renormalize multiplicatively, and the matching with the physical matrix elements can be obtained using continuum symmetries and the irreducible representations of Euclidean 4-dimensional rotations. We calculate the matching coefficients at one-loop in perturbation theory for moments of any order in the flavor nonsinglet case. We also give specific examples of operators that could be used in lattice QCD computations. It turns out that it is possible to choose operators with identical Lorentz indices and still have a multiplicative matching. One can thus use twist-2 operators exclusively with temporal indices, thus substantially improving the signal-to-noise ratio in the computation of the hadronic matrix elements.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Coarsening in Solid-Liquid Mixtures Studied on the Space Shuttle

Ostwald ripening, or coarsening, is a process in which large particles in a two-phase mixture grow at the expense of small particles. It is a ubiquitous natural phenomena occurring in the late stages of virtually all phase separation processes. In addition, a large number of commercially important alloys undergo coarsening because they are composed of particles embedded in a matrix. Many of them, such as high-temperature superalloys used for turbine blade materials and low-temperature aluminum alloys, coarsen in the solid state. In addition, many alloys, such as the tungsten-heavy metal systems, coarsen in the solid-liquid state during liquid phase sintering. Numerous theories have been proposed that predict the rate at which the coarsening process occurs and the shape of the particle size distribution. Unfortunately, these theories have never been tested using a system that satisfies all the assumptions of the theory. In an effort to test these theories, NASA studied the coarsening process in a solid-liquid mixture composed of solid tin particles in a liquid lead-tin matrix. On Earth, the solid tin particles float to the surface of the sample, like ice in water. In contrast, in a microgravity environment this does not occur. The microstructures in the ground- and space-processed samples (see the photos) show clearly the effects of gravity on the coarsening process. The STS-83-processed sample (right image) shows nearly spherical uniformly dispersed solid tin particles. In contrast, the identically processed, ground-based sample (left image) shows significant density-driven, nonspherical particles, and because of the higher effective solid volume fraction, a larger particle size after the same coarsening time. The "Coarsening in Solid-Liquid Mixtures" (CSLM) experiment was conducted in the Middeck Glovebox facility (MGBX) flown aboard the shuttle in the Microgravity Science Laboratory (MSL-1/1R) on STS-83/94. The primary objective of CSLM is to measure the temporal evolution of the solid particles during coarsening.

Caruso, John J.↗

Complex eigenvalue instantons and the Fredholm determinant expansion in the Gross-Witten-Wadia model

We study the leading nonperturbative corrections to the strong-coupling (ungapped) phase of the Gross-Witten-Wadia (GWW) integral over unitary matrices, to one-loop order. We compute these corrections directly in terms of eigenvalue tunneling in a holomorphic presentation of the integral over eigenvalues. The leading nonperturbative contribution to the partition function comes from a pair of complex eigenvalue instantons. We show that these are in fact “ghost instantons”, which are extrema of the one-eigenvalue effective potential on the “unphysical sheet” of the spectral curve and have been discussed in detail recently by Mariño, Schiappa, and Schwick. Further, we discuss the relationship of these instantons to the Fredholm determinant expansion of the unitary matrix integral, which has recently become an object of interest in the computations of BPS indices of supersymmetric gauge theories and black holes. We find that, after taking the ’t Hooft limit, the first correction given by the Fredholm determinant expansion of the GWW integral agrees precisely with the leading nonperturbative correction, to one-loop order.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Implementation of Fiber Substructuring Into Strain Rate Dependent Micromechanics Analysis of Polymer Matrix Composites

A research program is in progress to develop strain rate dependent deformation and failure models for the analysis of polymer matrix composites subject to impact loads. Previously, strain rate dependent inelastic constitutive equations developed to model the polymer matrix were incorporated into a mechanics of materials based micromechanics method. In the current work, the micromechanics method is revised such that the composite unit cell is divided into a number of slices. Micromechanics equations are then developed for each slice, with laminate theory applied to determine the elastic properties, effective stresses and effective inelastic strains for the unit cell. Verification studies are conducted using two representative polymer matrix composites with a nonlinear, strain rate dependent deformation response. The computed results compare well to experimentally obtained values.

Goldberg, Robert K.↗

A Vision–based Robust $\mathcal{H}$ ∞ Gain Scheduling Longitudinal and Lateral Following Controller for Autonomous Vehicles on Urban Curved Roads

Implementing advanced driver assistance systems (ADAS) in congested and intricate urban traffic scenarios poses significant challenges. To address the frequent stop–and–go motions exhibited by autonomous vehicles (AVs) navigating urban roads with changes in curvature, we propose a vision–based robust $\mathcal{H}$ ∞ adaptive cruise control system (ACC) for longitudinal control, plus a lane keeping assist system (LKAS) for lateral control. For the vision-based ACC, a weighted probability objective function for the vehicle following behavior is formulated. We incorporate $\mathcal{H}$ ∞ performance and gain scheduling techniques to mitigate the impact of uncertainty in visual sensor measurements. Furthermore, the optimal time headway is scheduled based on the velocity to ensure traffic flow efficiency and safety during the vehicle following process. For the LKAS, we introduce a road curvature estimation method that integrates lane and vehicle dynamics information to obtain the lateral and heading offsets. Next, the design criterion of the observer–based robust gain scheduling lateral motion controller is established by linear matrix inequality (LMI). Here, a series of experiments conducted within a camera–in–loop platform validate the proposed method.

33 ADVANCED PROPULSION SYSTEMS↗

Thermal quasiparticle theory

The widely used thermal Hartree–Fock (HF) theory is generalized to include the effect of electron correlation while maintaining its quasi-independent-particle framework. An electron-correlated internal energy (or grand potential) is postulated in consultation with the second-order finite-temperature many-body perturbation theory (MBPT), which then dictates the corresponding thermal orbital (quasiparticle) energies in such a way that all fundamental thermodynamic relations are obeyed. The associated density matrix is of a one-electron type, whose diagonal elements take the form of the Fermi–Dirac distribution functions, when the grand potential is minimized. The formulas for the entropy and chemical potential are unchanged from those of Fermi–Dirac or thermal HF theory. The theory thus stipulates a finite-temperature extension of the second-order Dyson self-energy of one-particle many-body Green’s function theory and can be viewed as a second-order, diagonal, frequency-independent, thermal inverse Dyson equation. At low temperatures, the theory approaches finite-temperature MBPT of the same order, but it may outperform the latter at intermediate temperatures by including additional electron-correlation effects through orbital energies. Here, a physical meaning of these thermal orbital energies is proposed (encompassing that of thermal HF orbital energies, which has been elusive) as a finite-temperature version of Janak’s theorem.

74 ATOMIC AND MOLECULAR PHYSICS↗

Anisotropic Optical and Frictional Properties of Langmuir–Blodgett Film Consisting of Uniaxially-Aligned Rod-Shaped Cellulose Nanocrystals

Langmuir–Blodgett (LB) film deposition gives an opportunity to control the packing density and orientation of anisotropic nanoparticles at a monolayer level, allowing accurate characterization of their anisotropic material properties. Additionally, the uniaxial deposition of rod-shaped cellulose nanocrystals (CNCs) over a macroscopically large area is achieved by aligning the long axis of CNCs on the LB trough with the direction of the maximum drag force within the meniscus during the vertical pulling of the substrate from the LB trough. On the uniaxially-aligned LB films, anisotropic linear and non-linear optical properties of CNCs are obtained using Mueller matrix spectroscopy and sum frequency generation spectroscopy, respectively, and explained with time-dependent density functional theory calculations. Also, the frictional anisotropy of the LB film is measured using atomic force microscopy and explained theoretically. The findings of this study will be valuable for preparation of anisotropic nanoparticle thin films with uniform arrangements and utilization of their anisotropic material properties.

36 MATERIALS SCIENCE↗

Quark mass difference effects in hadronic Fermi matrix elements from first principles

It was recently estimated that the strong isospin-symmetry breaking (ISB) corrections to the Fermi matrix element in free neutron decay could be of the order 10 –4 , one order of magnitude larger than the naïve estimate based on the Behrends-Sirlin-Ademollo-Gatto theorem. To investigate this claim, we derive a general expression of the leading ISB correction to hadronic Fermi matrix elements, which takes the form of a four-point correlation function in lattice gauge theory and is straightforward to compute from first principles. Our formalism paves the way for the first determination of such correction in the neutron sector with fully-controlled theory uncertainties.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Exploiting Nonlinear Elasticity for Anomalous Magnetoresponsive Stiffening

Here, a paradigm for enhanced magnetorheological elastic materials is introduced and experimentally established. We show that a nonlinearly stiffening polymer matrix can be exploited to achieve anomalous magneto-elastomer stiffening exceeding standard magneto-elastomer theory and experiment in terms of percentage stiffness change and sensitivity to applied magnetic flux. Using a model system of a semifexible fibrin network embedded with micron sized carbonyl iron particles, we demonstrate that even at a modest particle volume fraction (0.5-4%), a coupling between the magnetically-interacting dipoles and a strain-stiffening polymer mesh provides previously unexplored opportunities for material design. Our experiments indicate that confined particles within thefibrin network internally tension and stiffen the polymer mesh when an external field is applied, resulting in a field-dependent stiffening response from the polymer mesh that superposes with the magnetic interparticle interactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Quantum phases in the honeycomb-lattice J 1 – J 3 ferro-antiferromagnetic model

The significant role of quantum effects in magnets with competing interactions remains at the forefront of condensed matter physics for over 50 years, inspiring a multitude of quests for exotic states, models that can realize them, and real materials that can host them. The elusive spin-liquid states with strong entanglement are but one example; others include valence-bond phases with spatial symmetry breaking, quantum spin nematics that are quantum analogues of liquid crystals, and an especially extensive class of unconventional magnetically ordered phases that do not appear in the classical solutions of the underlying spin models. It is the latter group of phenomena that creates a broader context for the research effort in the present work concerning the search for and an identification of the novel ground states of quantum magnets. In this work, we have studied one of the paradigmatic models in quantum magnetism that is also attracting a significant recent interest because it appears to be providing a tantalizingly close description for many of the newly synthesized materials. We demonstrated that the phase diagram of the quantum ferro-antiferromagnetic model on the honeycomb lattice differs dramatically from the classical one. It hosts the double-zigzag and Ising-z phases as unexpected intermediaries between ferromagnetic and zigzag states that are also extended beyond their classical regions of stability. In broad agreement with quantum order-by-disorder arguments, these collinear phases completely supersede the classical spiral state.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Universal Tripartite Entanglement in One-Dimensional Many-Body Systems

Motivated by conjectures in holography relating the entanglement of purification and reflected entropy to the entanglement wedge cross section, we introduce two related non-negative measures of tripartite entanglement g and h. We prove structure theorems which show that states with nonzero g or h have nontrivial tripartite entanglement. We then establish that in one dimension these tripartite entanglement measures are universal quantities that depend only on the emergent low-energy theory. For a gapped system, we argue that either g≠0 and h=0 or g=h=0, depending on whether the ground state has long-range order. For a critical system, we develop a numerical algorithm for computing g and h from a lattice model. We compute g and h for various CFTs and show that h depends only on the central charge whereas g depends on the whole operator content.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Neural simulation-based inference of the Higgs trilinear self-coupling via off-shell Higgs production

One of the forthcoming major challenges in particle physics is the experimental determination of the Higgs trilinear self-coupling. While efforts have largely focused on on-shell double- and single-Higgs production in proton-proton collisions, off-shell Higgs production has also been proposed as a valuable complementary probe. In this article, we design a hybrid neural simulation-based inference (NSBI) approach to construct a likelihood of the Higgs signal incorporating modifications from the Standard Model effective field theory (SMEFT), relevant background processes, and quantum interference effects. It leverages the training efficiency of matrix-element-enhanced techniques, which are vital for robust SMEFT applications, while also incorporating the practical advantages of classification-based methods for effective background estimates. We demonstrate that our NSBI approach achieves sensitivity close to the theoretical optimum and provide expected constraints for the high-luminosity upgrade of the Large Hadron Collider. While we primarily concentrate on the Higgs trilinear self-coupling, we also consider constraints on other SMEFT operators that affect off-shell Higgs production.

Ghosh, Aishik [Univ. of California, Irvine, CA (Un↗