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DOE OSTI2018

A Functional Central Limit Theorem for the Becker–Döring Model

We investigate the fluctuations of the stochastic Becker–Döring model of polymerization when the initial size of the system converges to infinity. A functional central limit problem is proved for the vector of the number of polymers of a given size. It is shown that the stochastic process associated to fluctuations is converging to the strong solution of an infinite dimensional stochastic differential equation (SDE) in a Hilbert space. We also prove that, at equilibrium, the solution of this SDE is a Gaussian process. The proofs are based on a specific representation of the evolution equations, the introduction of a convenient Hilbert space and several technical estimates to control the fluctuations, especially of the first coordinate which interacts with all components of the infinite dimensional vector representing the state of the process.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2013

Coherent orthogonal polynomials

We discuss a fundamental characteristic of orthogonal polynomials, like the existence of a Lie algebra behind them, which can be added to their other relevant aspects. At the basis of the complete framework for orthogonal polynomials we include thus–in addition to differential equations, recurrence relations, Hilbert spaces and square integrable functions–Lie algebra theory. We start here from the square integrable functions on the open connected subset of the real line whose bases are related to orthogonal polynomials. All these one-dimensional continuous spaces allow, besides the standard uncountable basis (|x〉), for an alternative countable basis (|n〉). The matrix elements that relate these two bases are essentially the orthogonal polynomials: Hermite polynomials for the line and Laguerre and Legendre polynomials for the half-line and the line interval, respectively. Differential recurrence relations of orthogonal polynomials allow us to realize that they determine an infinite-dimensional irreducible representation of a non-compact Lie algebra, whose second order Casimir C gives rise to the second order differential equation that defines the corresponding family of orthogonal polynomials. Thus, the Weyl–Heisenberg algebra h(1) with C=0 for Hermite polynomials and su(1,1) with C=−1/4 for Laguerre and Legendre polynomials are obtained. Starting from the orthogonal polynomials the Lie algebra is extended both to the whole space of the L{sup 2} functions and to the corresponding Universal Enveloping Algebra and transformation group. Generalized coherent states from each vector in the space L{sup 2} and, in particular, generalized coherent polynomials are thus obtained. -- Highlights: •Fundamental characteristic of orthogonal polynomials (OP): existence of a Lie algebra. •Differential recurrence relations of OP determine a unitary representation of a non-compact Lie group. •2nd order Casimir originates a 2nd order differential equation that defines the corresponding OP family. •Generalized coherent polynomials are obtained from OP.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2023

High-throughput ab initio design of atomic interfaces using InterMatch

Forming a hetero-interface is a materials-design strategy that can access an astronomically large phase space. However, the immense phase space necessitates a high-throughput approach for an optimal interface design. Here we introduce a high-throughput computational framework, InterMatch, for efficiently predicting charge transfer, strain, and superlattice structure of an interface by leveraging the databases of individual bulk materials. Specifically, the algorithm reads in the lattice vectors, density of states, and the stiffness tensors for each material in their isolated form from the Materials Project. From these bulk properties, InterMatch estimates the interfacial properties. We benchmark InterMatch predictions for the charge transfer against experimental measurements and supercell density-functional theory calculations. We then use InterMatch to predict promising interface candidates for doping transition metal dichalcogenide MoSe 2 . Finally, we explain experimental observation of factor of 10 variation in the supercell periodicity within a few microns in graphene/α-RuCl 3 by exploring low energy superlattice structures as a function of twist angle using InterMatch. We anticipate our open-source InterMatch algorithm accelerating and guiding ever-growing interfacial design efforts. Moreover, the interface database resulting from the InterMatch searches presented in this paper can be readily accessed online.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2013

About a new family of coherent states for some SU(1,1) central field potentials

In this paper, we shall define a new family of coherent states which we shall call the 'mother coherent states,' bearing in mind the fact that these states are independent from any parameter (the Bargmann index, the rotational quantum number J, and so on). So, these coherent states are defined on the whole Hilbert space of the Fock basis vectors. The defined coherent states are of the Barut-Girardello kind, i.e., they are the eigenstates of the lowering operator. For these coherent states we shall calculate the expectation values of different quantum observables, the corresponding Mandel parameter, the Husimi's distribution function and also the P- function. Finally, we shall particularize the obtained results for the three-dimensional harmonic and pseudoharmonic oscillators.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Observation of the Charged-Particle Multiplicity Dependence of 𝜎 𝜓⁡(2⁢𝑆 )/𝜎 𝐽/𝜓 in 𝑝-Pb Collisions at 8.16 TeV

Bound states of charm and anticharm quarks, known as charmonia, have a rich spectroscopic structure that can be used to probe the dynamics of hadron production in high-energy hadron collisions. Here, the cross section ratio of excited (𝜓⁡(2⁢𝑆)) and ground state (𝐽/𝜓) vector mesons is measured as a function of the charged-particle multiplicity in proton-lead (𝑝⁢Pb) collisions at a center-of-mass (CM) energy per nucleon pair of 8.16 TeV. The data corresponding to an integrated luminosity of 175 nb −1 were collected using the CMS detector. The ratio is measured separately for prompt and nonprompt charmonia in the transverse momentum range 6.5 < 𝑝 T < 30 GeV and in four rapidity ranges spanning −2.865 < 𝑦 CM < 1.935. For the first time, a statistically significant multiplicity dependence of the prompt cross section ratio is observed in proton-nucleus collisions. There is no clear rapidity dependence in the ratio. The prompt measurements are compared with a theoretical model which includes interactions with nearby particles during the evolution of the system. These results provide additional constraints on hadronization models of heavy quarks in nuclear collisions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2026

First Exclusive Reconstruction of the 𝐵* + , 𝐵* 0 , and 𝐵$^{*0}_{𝑠}$ Mesons and Precise Measurement of Their Masses

Using proton-proton collision data collected by the CMS experiment at √𝑠 = 13 TeV in 2016–2018, corresponding to an integrated luminosity of 140 fb −1 , the first full reconstruction of the three vector 𝐵 meson states, 𝐵* + , 𝐵* 0 , and 𝐵$^{*0}_{𝑠}$, is performed. The mass differences between the excited mesons and their corresponding ground states are measured to be 𝑚⁡(𝐵* + )−𝑚⁡(𝐵 + ) = 45.277 ± 0.039 ± 0.027 MeV, 𝑚⁡(𝐵 *0 )−𝑚⁡(𝐵 0 ) = 45.471 ± 0.056 ± 0.028 MeV, and 𝑚⁡(𝐵$^{*0}_{𝑠}$)−𝑚⁡(𝐵$^{0}_{𝑠}$) = 49.407 ± 0.132 ± 0.041 MeV, where the first uncertainties are statistical and the second are systematic. These results improve on the precision of previous measurements by an order of magnitude.

Bottom mesons↗

DOE OSTI2020

LOGAN: High-Performance GPU-Based X-Drop Long-Read Alignment

Pairwise sequence alignment is one of the most computationally intensive kernels in genomic data analysis, accounting for more than 90% of the runtime for key bioinformatics applications. This method is particularly expensive for third-generation sequences due to the high computational cost of analyzing sequences of length between 1Kb and 1Mb. Given the quadratic overhead of exact pairwise algorithms for long alignments, the community primarily relies on approximate algorithms that search only for high-quality alignments and stop early when one is not found. In this work, we present the first GPU optimization of the popular X-drop alignment algorithm, that we named LOGAN. Results show that our high-performance multi-GPU implementation achieves up to 181.6 GCUPS and speed-ups up to 6.6× and 30.7× using 1 and 6 NVIDIA Tesla V100, respectively, over the state-of-the-art software running on two IBM Power9 processors using 168 CPU threads, with equivalent accuracy. We also demonstrate a 2.3× LOGAN speed-up versus ksw2, a state-of-art vectorized algorithm for sequence alignment implemented in minimap2, a long-read mapping software. Furthermore, to highlight the impact of our work on a real-world application, we couple LOGAN with a many-to-many long-read alignment software called BELLA, and demonstrate that our implementation improves the overall BELLA runtime by up to 10.6×. Finally, we adapt the Roofline model for LOGAN and demonstrate that our implementation is near optimal on the NVIDIA Tesla V100s.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2015

Review of physics results from the Tevatron: QCD physics

We present a summary of results from studies of quantum chromodynamics at the Fermilab Tevatron collider by the CDF and the D0 experiments. These include Run II results for the time period up to the end of Summer 2014. A brief description of Run I results is also given. This review covers a wide spectrum of topics, and includes measurements with jet and vector boson final states in the hard (perturbative) energy regime, as well as studies of soft physics such as diffractive and elastic scatterings, underlying and minimum bias events, hadron fragmentation, and multiple parton interactions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2019

LOGAN: High-Performance X-Drop Pairwise Alignment on GPU (LOGAN) v1.0

Pairwise sequence alignment is one of the most computationally intensive kernels in genomic data analysis, accounting for more than 90% of the run time for key bioinformatics applications. This method is particularly expensive for third-generation sequences due to the high computational expense of analyzing these long read lengths (1Kb-1Mb). Given the quadratic overhead of exact pairwise algorithms such as Smith-Waterman, for long alignments, the community primarily relies on approximate algorithms that search only for high-quality alignments and stop early when one is not found. In this work, we present the first GPU optimization of the popular X-drop alignment algorithm, named LOGAN. Results show that our high-performance multi-GPU LOGAN implementation achieves up to 181.6 GCUPS and speed-ups up to 6.6x and 30.7x using 1 and 6 NVIDIA Tesla V100, respectively, over the state-of-the-art software running on two IBM Power9 processors using 168 threads, with equivalent accuracy. We also demonstrate a 2.3x LOGAN speed-up versus ksw2, a state-of-art vectorized algorithm for sequence alignment implemented in minimap2. To highlight the impact of our work on a real-world application, we couple the LOGAN aligner with a many-to-many long-read alignment software called BELLA, and demonstrate that our implementation improves the overall BELLA runtime by up to 10.6x. Finally, we adapt the Roofline model for our optimized kernel and demonstrate that our implementation is near-optimal on the NVIDIA Tesla V100s.

Guidi, Giulia↗

DOE OSTI2017

Baryon Effective Theories and Phenomenology in the 1/ N C Expansion

Chiral perturbation theory (ChPT) and the 1/ N C expansion provide systematic frameworks to investigate the strong interaction at low energy. There are two main focuses of this dissertation. First, analyzing the masses of baryons in the framework of the 1/ N C expansion, using the available physical masses and masses calculated in lattice QCD. Second, combining both ChPT and the 1/ N C expansion into a single framework and applying it to the phenomenology of baryons with three light-quark flavors. In the first focus, the baryon states are organized into irreducible representations of SU(6)×O(3), where the [56,&ell; P = 0 + ] contains the ground state and radially excited baryons, and the [56,2 + ] and [70,1 - ] contain orbitally excited states are analyzed. The analyses are carried out to O(1/ N C ) and first order in the quark masses. The issue of state identifications is discussed. Numerous parameter independent mass relations and the famous Gell-Mann-Okubo (GMO) and Equal-Spacing (ES) relations are tested. Also, the quark mass dependence of the operator coefficients for baryon mass is discussed. In the second focus, a small scale expansion of the combined approach is defined as the ξ-expansion, in which the power counting of 1/ N C and chiral expansions are linked as O(p) = O(1/ N C ) = O(ξ). A calculation of one-loop corrections to the ground state baryon masses, vector and axial-vector currents up to O(x&i; 3 ) is presented. Moreover, the physical and lattice QCD masses are considered in order to understand the quark mass dependence, along with an analysis of the violations to GMO, ES and Gürsey-Radicati (GR) mass relations, and their dependence on N C .

Fernando, Madappuli Arachchige Ishara↗

DOE OSTI2021

Universal Monte Carlo Event Generator

With the Jefferson Lab 12 GeV physics program underway and plans for the future Electron-Ion Collider (EIC), the nuclear physics community is entering a new era of exploration of QCD phenomena involving extensive data taking and event-level processing. This brings with it the potential for unprecedented access to multidimensional particle momentum distributions (PMDs) that can be connected to various theoretical frameworks by unfolding the emergent quantum mechanical properties of QCD using the PMDs. In practice, the PMDs are rendered as discretized histograms (typically one- or two-dimensional projections), and detector effects must be taken into account to unfold the pure detector effect-free PMDs that can be connected with theory. One of the challenges in this new era is obtaining faithful reconstructions of the multidimensional PMDs that preserve all of the inherent particle correlations. In this LDRD project we developed a novel approach using machine learning (ML) that solves this challenge, by avoiding entirely the need to use histograms as the main numerical technique to obtain the detector effect-free PMDs. The new approach is, moreover, scalable to higher dimensional PMDs. The central idea involves training neural networks (NNs) to generate synthetic event-level data (momenta 4-vectors of final state particles) to preserve all correlations among the particles. This is achieved by converting the trial synthetic vertex-level events to detector-level events using detector simulators. The NNs are then tuned using a specialized distance metric between the synthetic detector events and the real detector events.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1975

Problems, questions and results in the use of the BBN-model

A hierarchical structured control model was used to describe pilot performance in a multivariable control problem. The model is based on the assumption that a well trained operator optimized a quadratic optimization criterion. The model considers some special characteristics of the human operator as time delay, neuromuscular time lag, observation and motor noise and the ability to extract the first derivative of a displaced value. Numerical results of a simple human engineering example using the BBN model demonstrate the influence of the variation of different parameters on covariance matrices of the state and observation vectors.

Dey, D.↗

NASA NTRS2000

The Dynamics of a Semi-Arid Region in Response to Climate and Water - Use Policy

The objectives of this project were to determine the response of semi-arid ecosystems to the combined forcings of climate variability and anthropogenic stress. Arid and semi-arid systems encompass close to 40% of the worlds land surface. The ecology of these regions are principally limited by water, and as the water resources wax and wane, so should the health and vigor of the ecosystems. Water, however, is a necessary and critical resource for humans living in these same regions. Thus for many and and semi-arid regions the natural systems and human systems are in direct competition for a limited resource. Increasing competition through development of and and semi-arid regions, export of water resources, as well as potential persistent changes in weather patterns are likely to lead to fundamental changes in carrying capacity, resilience, and ecology of these regions. A detailed understanding of these systems respond to forcing on a regional and local scale is required in order to better prepare for and manage future changes in the availability of water. In the Owens Valley CA, decadal changes in rainfall and increased use of groundwater resources by Los Angles (which derives 60-70% of its water from this region) have resulted in a large-scale experiment on the impacts of these changes in semi-arid ecosystems. This project works directly with the Inyo County Water Department (local water authority) and the Los Angles Department of Water and Power (regional demand on water resources) to understand changes, their causes, and impacts. Very detailed records have been kept for a number of selected sites in the valley which provide essential ground truth. These results are then scaled up through remote sensed data to regions scale to assess large scale patterns and link them to the fundamental decisions regarding the water resources of this region. A fundamental goal is to understand how resilient the native ecosystems are to large changes in water resources. Are they are on a spring (remove and return resources, do the systems return to the original state) or a vector (when water returns have the systems fundamentally changed).

Mustard, John F.↗

NASA NTRS2013

Mixture-Tuned, Clutter Matched Filter for Remote Detection of Subpixel Spectral Signals

Mapping localized spectral features in large images demands sensitive and robust detection algorithms. Two aspects of large images that can harm matched-filter detection performance are addressed simultaneously. First, multimodal backgrounds may thwart the typical Gaussian model. Second, outlier features can trigger false detections from large projections onto the target vector. Two state-of-the-art approaches are combined that independently address outlier false positives and multimodal backgrounds. The background clustering models multimodal backgrounds, and the mixture tuned matched filter (MT-MF) addresses outliers. Combining the two methods captures significant additional performance benefits. The resulting mixture tuned clutter matched filter (MT-CMF) shows effective performance on simulated and airborne datasets. The classical MNF transform was applied, followed by k-means clustering. Then, each cluster s mean, covariance, and the corresponding eigenvalues were estimated. This yields a cluster-specific matched filter estimate as well as a cluster- specific feasibility score to flag outlier false positives. The technology described is a proof of concept that may be employed in future target detection and mapping applications for remote imaging spectrometers. It is of most direct relevance to JPL proposals for airborne and orbital hyperspectral instruments. Applications include subpixel target detection in hyperspectral scenes for military surveillance. Earth science applications include mineralogical mapping, species discrimination for ecosystem health monitoring, and land use classification.

Thompson, David R.↗

NASA NTRS2022

Multi-Agent Control Approach to the Stability of Linear Deployable Systems

Collisions and undesired dynamic responses may occur during the expansion phase of deployable elements on a spacecraft. This problem is more pronounced in large and complex deployable elements where characterization of transient dynamics using testing and simulation can be challenging. This paper introduces a multi-agent control theory approach to address the problem of collisions and transient behavior in deployable lattice systems. We introduce the graph theoretic and relative error vector-based state-space structures to represent the geometry of a lattice-based deploy system. We show that under the assumption of almost-strict dissipativity, the closed-loop feedback gains of the relative error dynamics are the spring and damper constants in the structure. Moreover, we introduce the control perspective of shaping transient dynamics using eigenstructure assignment and balanced coordinate transformation.

Pablos, Juan L. de↗

DOE OSTI2025

A Digital Three Level Space Vector Modulator for High Frequency Vector Sequence Generation

This letter proposes a digital high-speed three-level space vector pulse width modulator (3L-SVPWM). A conventional 3L-SVPWM is typically computation-based, involving a sequential execution of sub-tasks on a digital signal processor (DSP) based controller. The resulting high computation time of 5.4 μs limits the implementation of additional control blocks for switching frequencies greater than 100 kHz. This is overcome by transforming sub-tasks into digital blocks with 1-0 decisions and simpler arithmetic operations. The sub-task blocks are executed concurrently on a programmable logic device (PLD). Hence, a fast 3L-SVPWM execution in 140 ns is achieved. The proposed digital 3L-SVPWM enables high switching frequency operation of wide bandgap (WBG) device-based 3 L inverters to generate high fundamental frequency waveforms. A finite state machine is an integral part of the proposed implementation with the ability to generate any vector sequence, maximizing the usage of redundant vector states in 3L-SVPWM. Here, the proposed digital 3L-SVPWM operation is demonstrated with a GaN-based 3 L active neutral point clamped (3L-ANPC) inverter. Experimental results are presented at 250 kHz switching frequency to generate vector sequences for center-aligned SVPWM (CA-SVPWM) and common mode voltage reduced SVPWM (CMVR-SVPWM). The results also showcase a high fundamental frequency generation capability of 10 kHz.

active neutral point clamped inverter↗

DOE OSTI2020

Dynamic concurrent learning method to neutralize cyber attacks and faults for industrial asset monitoring nodes

Input signals may be received from monitoring nodes of the industrial asset, each input signal comprising time series data representing current operation. A neutralization engine may transform the input signals into feature vectors in feature space, each feature vector being associated with one of a plurality of overlapping batches of received input signals. A dynamic decision boundary may be generated based on the set of feature vectors, and an abnormal state of the asset may be detected based on the set of feature vectors and a predetermined static decision boundary. An estimated neutralized value for each abnormal feature value may be calculated based on the dynamic decision boundary and the static decision boundary such that a future set of feature vectors will be moved with respect to the static decision boundary. An inverse transform of each estimated neutralized value may be performed to generate neutralized signals comprising time series data that are output.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

Search for supersymmetry with a compressed mass spectrum in the vector boson fusion topology with 1-lepton and 0-lepton final states in proton-proton collisions at $ \sqrt{s} $ = 13 TeV

A search for supersymmetric particles produced in the vector boson fusion topology in proton-proton collisions is presented. The search targets final states with one or zero leptons, large missing transverse momentum, and two jets with a large separation in rapidity. The data sample corresponds to an integrated luminosity of 35.9 fb$^{-1}$ of proton-proton collisions at $\sqrt{s}=$ 13 TeV collected in 2016 with the CMS detector at the LHC. The observed dijet invariant mass and lepton-neutrino transverse mass spectra are found to be consistent with the standard model predictions. Upper limits are set on the cross sections for chargino ($\widetilde\chi_1^\pm$) and neutralino ($\widetilde\chi_2^0$) production with two associated jets. For a compressed mass spectrum scenario in which the $\widetilde\chi_1^\pm$ and $\widetilde\chi_2^0$ decays proceed via a light slepton and the mass difference between the lightest neutralino $\widetilde\chi_1^0$ and the mass-degenerate particles $\widetilde\chi_1^\pm$ and $\widetilde\chi_2^0$ is 1 (30) GeV, the most stringent lower limit to date of 112 (215) GeV is set on the mass of these latter two particles.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗