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At least 685 records · Page 38

Coupled Lindblad Pseudomode Theory for Simulating Open Quantum Systems

Coupled Lindblad pseudomode theory is a promising approach for simulating non-Markovian quantum dynamics on both classical and quantum platforms, with dynamics that can be realized as a quantum channel. We provide theoretical evidence that the number of coupled pseudomodes only needs to scale as polylog⁡(𝑇/𝜖) in the simulation time 𝑇 and precision 𝜖. Inspired by the realization problem in control theory, we also develop a robust numerical algorithm for constructing the coupled modes that avoid the nonconvex optimization required by existing approaches. We demonstrate the effectiveness of our method by computing population dynamics and absorption spectra for the spin-boson model. Furthermore, this Letter provides a significant theoretical and computational improvement to the coupled Lindblad framework, which impacts a broad range of applications from classical simulations of quantum impurity problems to quantum simulations on near-term quantum platforms.

Anderson impurity model↗

Structure and dynamics of open-shell nuclei from spherical coupled-cluster theory

We extend the spherical coupled-cluster ab initio method for open-shell nuclei where two nucleons are removed from a shell subclosure. Following the recent implementation of the two-particle-attached approach [Phys. Rev. C 110, 044306 (2024)], we focus on the two-particle-removed method. Using the equations-of-motion framework, we address both nuclear structure and dipole response functions by coupling coupled-cluster theory with the Lorentz integral transform technique. We perform calculations using chiral interactions, including three-nucleon forces, and estimate many-body uncertainties by comparing different coupled-cluster truncation schemes. Here, we validate our approach by studying ground-state energies, excited states, and electric dipole polarizabilities in the oxygen and calcium isotopic chains. For binding energies and selected low-lying excited states, we achieve an accuracy comparable to that of the established closed-shell coupled-cluster theory and generally agree with experiment. Finally, we underestimate experimental data for electric dipole polarizabilities, particularly in calcium isotopes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

EXAFS: theory and approaches

Here, this chapter gives a discussion of the theory of EXAFS, including the first derivations as well as the modern theory based on the real-space multiple-scattering formalism.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

INSURE: An Information Theory iNspired diSentanglement and pURification modEl for Domain Generalization

Domain Generalization (DG) aims to learn a generalizable model on the unseen target domain by only training on the multiple observed source domains. Although a variety of DG methods have focused on extracting domain-invariant features, the domain-specific class-relevant features have attracted attention and been argued to benefit generalization to the unseen target domain. To take into account the class-relevant domain-specific information, in this paper we propose an Information theory iNspired diSentanglement and pURification modEl (INSURE) to explicitly disentangle the latent features to obtain sufficient and compact (necessary) class-relevant feature for generalization to the unseen domain. Specifically, we first propose an information theory inspired loss function to ensure the disentangled class-relevant features contain sufficient class label information and the other disentangled auxiliary feature has sufficient domain information. Additionally, we further propose a paired purification loss function to let the auxiliary feature discard all the class-relevant information and thus the class-relevant feature will contain sufficient and compact (necessary) class-relevant information. Moreover, instead of using multiple encoders, we propose to use a learnable binary mask as our disentangler to make the disentanglement more efficient and make the disentangled features complementary to each other. We conduct extensive experiments on five widely used DG benchmark datasets including PACS, VLCS, OfficeHome, TerraIncognita, and DomainNet. The proposed INSURE achieves state-of-the-art performance. We also empirically show that domain-specific class-relevant features are beneficial for domain generalization. The code is available at https://github.com/yuxi120407/INSURE .

97 MATHEMATICS AND COMPUTING↗

Evidence Theory Representations for Properties Associated With Weak Link/Strong Link Systems, Part 1: Loss of Assured Safety

The use of evidence theory in the analysis of loss of assured safety (LOAS) for weak link (WL)/strong link (SL) systems is introduced and illustrated. Furthermore, article content includes (i) an introduction to evidence theory, (ii) definition of two WLs and two SLs used for illustration, (iii) belief and plausibility for the occurrence of LOAS for a one WL/two SL system, and (iv) a sampling-based procedure for the verification of belief and plausibility calculations. The presented results can be generalized to systems with more than one WL and two SLs.

42 ENGINEERING↗

Lattice Effective Field Theory Simulations of Nuclei

Lattice effective field theory applies the principles of effective field theory in a lattice framework where space and time are discretized. Nucleons are placed on the lattice sites, and the interactions are tuned to replicate the observed features of the nuclear force. Monte Carlo simulations are then employed to predict the properties of nuclear few- and many-body systems. Here, we review the basic methods and several theoretical and algorithmic advances that have been used to further our understanding of atomic nuclei.

nuclear lattice effective field theory↗

Molecular Structure and Electron Affinity of Metal-Solvent Complexes: Insights from Density Functional Theory Simulations

A molecular level understanding of the structure and energetics of the monovalent and divalent metal ion complexes is of great importance for development of next-generation batteries. Here, Density Functional Theory (DFT) simulations at the ωb97xD/6-31 + G(d,p) level of theory are performed to investigate the interaction of metal ions (Li + , Na + , K + , Mg 2+ , Ca 2+ , Zn 2+ ) with 26 organic solvent molecules. The reduction energetics (electron affinity and reduction potential) and structural responses of the solvent molecules and the molecular complexes are discussed. The DFT calculations are carried out to investigate the structure, energetics and electron affinities of chelated complexes of water (H 2 O), tetrahydrofuran (THF) and di-methoxy ethane (DME) solvent molecules. Additionally, ab initio dynamic simulations (AIMD) at 298 K using atom centered density matrix propagation (ADMP) formalism are performed to understand the spontaneous structure formation upon electron attachment of the metal ion-solvent complexes. The ADMP simulations indicate the decomposition of Mg + -(DME) 3 complex via cleavage of C–O bond of one of the three DME molecules indicating irreversible decomposition of DME in the presence of the Mg + radical. We believe that the data collected as part of this investigation serves as a library of fundamental knowledge towards a deeper understanding of the electrode-electrolyte interfacial reactions.

25 ENERGY STORAGE↗

Analyzing photovoltaic module mechanics using composite plate theories and finite element solutions

Deflection and stress calculated from an experimentally validated, high-fidelity finite element model (FEM) of a photovoltaic module experiencing mechanical load was compared to results from a simplified FEM treating the module laminate as a homogenized composite using a rule of mixtures approach, and further compared to analytical calculations treating the module as a Kirchoff-Love flat plate. The goal of this study was to determine the error incurred by analyzing module mechanics with varying levels of simplification, since resolving the aspect ratios of a module is computationally expensive. Homogenized FEMs were found to underpredict peak deflection under a 1.0 kPa load by between 13 and 19% for lower and upper bound application of the rule of mixtures. However, module shape was captured, implying that a useful replication of a resolved model could be achieved with a reduced, calibrated material stiffness. Homogenized stress results captured glass layer tensile stress components to within 46 to 52% at a sample location of interest, though agreement was poor through the remainder of the laminate due to the lack of material resolution. For plate theory, deflection was overpredicted by 45 to 67% for upper and lower bound homogenizations, and frame-adjacent module shapes were not adequately replicated. Stress results mirrored FEM trends but magnitudes were not well correlated to resolved model values. These results support the use of homogenized laminate models for module shape derivation, though resolved models remain necessary for stress analyses. The accuracy of plate theory was found to be inadequate for most applications.

14 SOLAR ENERGY↗

Advancing the Theory of Nuclear Data Evaluations [Slides]

This presentation covers a few key topics in relation to advancing the theory of nuclear data evaluations. First it targets and highlights the NCSP mission and vision along with the five-year plan. This lecture focuses upon the uncertainty quantification and SAMMY modernization. This presentation covers theory, and a framework is provided. The presentation concludes with goals, outlooks, and accomplishments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Microstructure-Dependent Rate Theory Model of Radiation-Induced Segregation in Binary Alloys

Conventional rate theory often uses the mean field concept to describe the effect of inhomogeneous microstructures on the evolution of radiation induced defect and solute/fission product segregation. However, the spatial and temporal evolution of defects and solutes determines the formation and spatial distribution of radiation-induced second phase such as precipitates and gas bubbles/voids, especially in materials with complicated microstructures and subject to high dose radiation. In this work, a microstructure-dependent model of radiation-induced segregation (RIS) has been developed to investigate the effect of inhomogeneous thermodynamic and kinetics properties of defects on diffusion and accumulations of solute A in AB binary alloys. Four independent concentrations: atom A, interstitial A, interstitial B, and vacancy on [A, B] sublattice are used as field variables to describe temporal and spatial distribution and evolution of defects and solute A. The independent concentrations of interstitial A and interstitial B allow to describe their different generation rates, thermodynamic and kinetic properties, and release the assumptions of interstitial generation and sink strength used in the conventional rate theory. Microstructure and concentration dependent chemical potentials of defects are used to calculate the driving forces of defect diffusions. With the model, the effects of defect chemical potentials and mobilities on the RIS in polycrystalline AB model alloys have been simulated. The results demonstrated the model capability in predicting defect evolution in materials with inhomogeneous thermodynamic and kinetic properties of defects. The model can be extended to materials with complicated microstructures such as a wide range of grain size distribution, coating structure and multiphases as well as radiation-induced precipitation subject to severe radiation damage.

36 MATERIALS SCIENCE↗

Nucleon-Nucleon Scattering Up to N5LO in Chiral Effective Field Theory

During the past few decades a large effort has been made toward describing the NN interaction in the framework of chiral Effective Field Theory (EFT). The main idea is to exploit the symmetries of QCD to obtain an effective theory for low energy nuclear systems. In 2003, the first accurate charge-dependent NN potential in this scheme was developed and it has been applied to many ab-initio calculations, opening the possibility to study nuclear systems in a systematic and accurate way. It was shown that the fourth order (N3LO) was necessary and sufficient to describe the NN scattering data with a χ 2 /d.o.f on the order of so-called high precision potentials. However the systematics of chiral EFT also allow to relate two- and many-body interactions in a well-defined way. Since many-body forces make their first appearance at higher order, they are substantially smaller than their two-body counterparts, but may never-the-less be crucial for some processes. Thus, there are observables where they can have a big impact and, for example, there are indications that they solve the long standing Ay puzzle of N-d scattering. The last few years, have also seen substantial progress toward higher orders of chiral EFT which was motivated by the fact that only three-body forces of rather high order may solve some outstanding issues in microscopic nuclear structure and reactions. In this chapter we will review the latest contributions of the authors to development of chiral EFT based potentials up to N4LO as well as first calculations conducted for NN scattering at N5LO.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Linear Theory of Electromagnetic Ion Beam Instabilities in the Earth’s Forshock: Peter Gary’s Contributions (1981–1991)

We discuss Peter Gary’s contributions to the understanding of the origin and properties of ultra-low frequency (ULF) waves in the Earth’s foreshock during the period when the International Sun Earth Explorer spacecraft (ISEE-1 and -2) provided unique data about the plasma and wave environment in this region. Peter’s work concerning the linear theory of electromagnetic ion beam instabilities is contained in five journal articles and then summarized in a review article, all of which are discussed here. Brief summaries of observations and theory prior to ISEE as well as to later work are also included.

79 ASTRONOMY AND ASTROPHYSICS↗

Relativistic Configuration-Interaction and Perturbation Theory Calculations for Heavy Atoms

Heavy atoms present challenges to atomic theory calculations due to the large number of electrons and their complicated interactions. Conventional approaches such as calculations based on Cowan’s code are limited and require a large number of parameters for energy agreement. One promising approach is relativistic configuration-interaction and many-body perturbation theory (CI-MBPT) methods. We present CI-MBPT results for various atomic systems where this approach can lead to reasonable agreement: La I, La II, Th I, Th II, U I, Pu II. Among atomic properties, energies, g-factors, electric dipole moments, lifetimes, hyperfine structure constants, and isotopic shifts are discussed. While in La I and La II accuracy for transitions is better than that obtained with other methods, more work is needed for actinides.

74 ATOMIC AND MOLECULAR PHYSICS↗

Theories of Relativistic Dissipative Fluid Dynamics

Relativistic dissipative fluid dynamics finds widespread applications in high-energy nuclear physics and astrophysics. However, formulating a causal and stable theory of relativistic dissipative fluid dynamics is far from trivial; efforts to accomplish this reach back more than 50 years. In this review, we give an overview of the field and attempt a comparative assessment of (at least most of) the theories for relativistic dissipative fluid dynamics proposed until today and used in applications.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

String Theory Bounds on the Cosmological Constant, the Higgs Mass, and the Quark and Lepton Masses

In this paper, we elaborate on the new understanding of the cosmological constant and the gauge hierarchy problems in the context of string theory in its metastring formulation, based on the concepts of modular spacetime and Born geometry. The interplay of phase space (and Born geometry), the Bekenstein bound, the mixing between ultraviolet (UV) and infrared (IR) physics and modular invariance in string theory is emphasized. This new viewpoint is fundamentally rooted in quantum contextuality and not in statistical observer bias (anthropic principle). We also discuss the extension of this point of view to the problem of masses of quarks and leptons and their respective mixing matrices.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Cyber risk assessment and investment optimization using game theory and ML-based anomaly detection and mitigation for wide-area control in smart grids

The electric power grid is increasingly becoming susceptible to cyber attacks that exploit vulnerabilities in the smart grid control, information, and physical layers. Successful cyber attacks can have catastrophic impacts on the social and economic well-being of any nation all over the globe. It has, thus, become imperative to secure the smart grid against such adversarial actions to ensure stable, secure, and reliable operation of the grid. The existing research and industry practices prove to be inadequate in terms of providing pragmatic and effective defense methodologies and measures for long-term cybersecurity planning and real-time cybersecurity for grid operation. For example, existing works lack models that incorporate uncertain behavior of cyber-attackers and pragmatic defense measures for cyber risk assessment and cybersecurity investment optimization which often provide unreliable and strictly qualitative solutions to these problems. At the same time, with the growing number of cyber incidents in the grid, there still exists a need to develop attack-resilient algorithms for wide-area monitoring, protection, and control (WAMPAC) applications like the wide-area voltage control systems (WAVCS) for Flexible AC Transmissions Systems (FACTS) that lack in scalable and feasible solutions from the cybersecurity perspective. This dissertation proposes novel models and methodologies for: (1) Cybersecurity planning, and (2) Cybersecurity for system operation. The cybersecurity planning is achieved through cyber risk assessment and cybersecurity resource investment optimization for long-term cybersecurity of the grid using game theory and attack-defense trees. Cybersecurity for system operation consists of development of cyber anomaly detection and mitigation algorithms for flexible AC transmission system (FACTS) controller-based wide-area voltage control systems (WAVCS) using machine learning (ML), and software defined networking-based moving target defense network routing for achieving real-time cyber-physical security for grid operations. This is followed by hardware-in-the-loop (HIL) implementation and evaluation of these attack prevention, detection, and mitigation algorithms and methodologies showcasing their feasibility in a close to real-world environment. For cybersecurity planning, a novel approach involving a combination of game theory and attack defense trees (ADT) for optimal cybersecurity resource allocation in the smart grid is proposed. This methodology involves modeling of the cyber-physical smart grid substations as ADTs, defining attacker costs, defense costs, and attack probabilities for attack access points. Using game theoretical formulation, optimal defense strategies for the defender of the system to invest cybersecurity resources in the grid are obtained. Additionally, a game-theoretic framework is developed for quantitative cyber-physical risk assessment of the grid under a dynamically changing cyber threat space and uncertain behavior of cyber attackers which is further used to optimize investments in the smart grid's cybersecurity resources. The attacker, defender, and the smart grid system are modeled while incorporating attacker-stochasticity and federal guidelines for smart grid cybersecurity. This allows quantification of threat, vulnerabilities, and attack impact of the grid for quantitative risk assessment. The defender's budget to invest in the security resources in the grid is optimized based on the strategies leading to minimum system risk. The evaluation of the proposed solutions highlight the feasibility for practical implementation of these methodologies and algorithms in the smart grid, while taking the federal requirements and guidelines for smart grid security into consideration. For achieving cybersecurity for system operation, attack prevention, detection, and mitigation algorithms and methodologies are developed specifically for FACTS-based WAVCS. Anomaly detection and mitigation in the WAVCS are achieved using algorithms based on machine learning which involves offline training and testing of ML models with CPS datasets incorporating physics-based features that allow accurate distinction between system faults and cyber attacks. For attack prevention, a methodology based on software defined network (SDN)-based moving target defense (MTD) network routing is proposed that enables prevention of Denial of Service (DoS) type attacks on the smart grid communication system. Subsequently, these methodologies and algorithms are implemented and evaluated on an HIL testbed that allows for real-time attack prevention, detection, and mitigation of emulated cyber attacks on the WAVCS in a close to real-world environment. The results show highly accurate and efficient performance of the implemented algorithms and methodologies with the smart grid system operating within the NERC's system operation limits even in the presence of DoS and data integrity cyber attacks. This work opens up future research opportunities in other directions such as (1) Expanding cybersecurity planning methodologies to real-time cyber contingency analysis with different game formulations; and (2) Applying the cybersecurity for system operation algorithms to broader categories of wide-area control applications.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Rational QCD loop amplitudes and quantum theories on twistor space

We show how curing an anomaly of the twistor uplift of self-dual Yang-Mills theory implies linear relations among one-loop, n-gluon, color-ordered subamplitudes in QCD, when all n gluon helicities are positive, or when exactly one is negative. We compute the number of linearly independent subamplitudes as determined by these relations, in terms of unsigned Stirling numbers. Then we use a momentum-twistor parametrization to show that there are no further linear dependencies.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Recurrent features of amplitudes in planar $\mathcal{N}$ = 4 super Yang-Mills theory

The planar three-gluon form factor for the chiral stress tensor operator in planar maximally supersymmetric Yang-Mills theory is an analog of the Higgs-to-three-gluon scattering amplitude in QCD. The amplitude (symbol) bootstrap program has provided a wealth of high-loop perturbative data about this form factor, with results up to eight loops available. The symbol of the form factor at L loops is given by words of length 2L in six letters with associated integer coefficients. In this paper, we analyze this data, describing patterns of zero coefficients and relations between coefficients. We find many sequences of words whose coefficients are given by closed-form expressions which we expect to be valid at any loop order. Moreover, motivated by our previous machine-learning analysis, we identify simple recursion relations that relate the coefficient of a word to the coefficients of particular lower-loop words. These results open an exciting door for understanding scattering amplitudes at all loop orders.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗