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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

A method for classification of red, blue, and green galaxies using fuzzy set theory

ABSTRACT Red and blue galaxies are traditionally classified using some specific cuts in colour or other galaxy properties, which are supported by empirical arguments. The vagueness associated with such cuts are likely to introduce a significant contamination in these samples. Fuzzy sets are vague boundary sets that can efficiently capture the classification uncertainty in the absence of any precise boundary. We propose a method for classification of galaxies according to their colours using fuzzy set theory. We use data from the Sloan Digital Sky Survey (SDSS) to construct a fuzzy set for red galaxies with its members having different degrees of ‘redness’. We show that the fuzzy sets for the blue and green galaxies can be obtained from it using different fuzzy operations. We also explore the possibility of using fuzzy relation to study the relationship between different galaxy properties and discuss its strengths and limitations.

Pandey, Biswajit (ORCID:000000017876595X)↗
DOE OSTI2017

Checking Questionable Entry of Personally Identifiable Information Encrypted by One-Way Hash Transformation

Background: As one of the several effective solutions for personal privacy protection, a global unique identifier (GUID) is linked with hash codes that are generated from combinations of personally identifiable information (PII) by a one-way hash algorithm. On the GUID server, no PII is permitted to be stored, and only GUID and hash codes are allowed. The quality of PII entry is critical to the GUID system. Objective: The goal of our study was to explore a method of checking questionable entry of PII in this context without using or sending any portion of PII while registering a subject. Methods: According to the principle of GUID system, all possible combination patterns of PII fields were analyzed and used to generate hash codes, which were stored on the GUID server. Based on the matching rules of the GUID system, an error-checking algorithm was developed using set theory to check PII entry errors. We selected 200,000 simulated individuals with randomly-planted errors to evaluate the proposed algorithm. These errors were placed in the required PII fields or optional PII fields. The performance of the proposed algorithm was also tested in the registering system of study subjects. Results: There are 127,700 error-planted subjects, of which 114,464 (89.64%) can still be identified as the previous one and remaining 13,236 (10.36%, 13,236/127,700) are discriminated as new subjects. As expected, 100% of nonidentified subjects had errors within the required PII fields. The possibility that a subject is identified is related to the count and the type of incorrect PII field. For all identified subjects, their errors can be found by the proposed algorithm. The scope of questionable PII fields is also associated with the count and the type of the incorrect PII field. The best situation is to precisely find the exact incorrect PII fields, and the worst situation is to shrink the questionable scope only to a set of 13 PII fields. In the application, the proposed algorithm can give a hint of questionable PII entry and perform as an effective tool. Conclusions: The GUID system has high error tolerance and may correctly identify and associate a subject even with few PII field errors. Correct data entry, especially required PII fields, is critical to avoiding false splits. In the context of one-way hash transformation, the questionable input of PII may be identified by applying set theory operators based on the hash codes. The count and the type of incorrect PII fields play an important role in identifying a subject and locating questionable PII fields.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

On the abundance of extreme voids II: a survey of void mass functions

The abundance of cosmic voids can be described by an analogue of halo mass functions for galaxy clusters. In this work, we explore a number of void mass functions: from those based on excursion-set theory to new mass functions obtained by modifying halo mass functions. We show how different void mass functions vary in their predictions for the largest void expected in an observational volume, and compare those predictions to observational data. Our extreme-value formalism is shown to be a new practical tool for testing void theories against simulation and observation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Path integral suppression of badly behaved causal sets

Abstract Causal set theory is a discrete model of spacetime that retains a notion of causal structure. We understand how to construct causal sets that approximate a given spacetime, but most causal sets are not at all manifold-like, and must be dynamically excluded if something like our Universe is to emerge from the theory. Here we show that the most common of these ‘bad’ causal sets, the Kleitman–Rothschild orders, are strongly suppressed in the gravitational path integral, and we provide evidence that a large class of other ‘bad’ causal sets are similarly suppressed. It thus becomes plausible that continuum behavior could emerge naturally from causal set quantum theory.

Astronomy & Astrophysics↗
DOE OSTI2016

A proof of the conjecture on the twin primes

In this short note, we have proved the conjecture on twin primes using some thoughts of the set theory. Firstly, using the original sieve method and a new notation(concept)introduced by myself, the conjecture on twin primes is summed up as an elementary successive limit, afterwards we form a subsequence of positive integers,and using it,we prove that the successive limits are commutative and complete the proof of the conjecture on twin primes We also give a more straightforward proof of the conjecture.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

The PDF4LHC21 combination of global PDF fits for the LHC Run III

A precise knowledge of the quark and gluon structure of the proton, encoded by the parton distribution functions (PDFs), is of paramount importance for the interpretation of high-energy processes at present and future lepton–hadron and hadron–hadron colliders. Motivated by recent progress in the PDF determinations carried out by the CT, MSHT, and NNPDF groups, we present an updated combination of global PDF fits: PDF4LHC21. It is based on the Monte Carlo combination of the CT18, MSHT20, and NNPDF3.1 sets followed by either its Hessian reduction or its replica compression. Extensive benchmark studies are carried out in order to disentangle the origin of the differences between the three global PDF sets. In particular, dedicated fits based on almost identical theory settings and input datasets are performed by the three groups, highlighting the role played by the respective fitting methodologies. We compare the new PDF4LHC21 combination with its predecessor, PDF4LHC15, demonstrating their good overall consistency and a modest reduction of PDF uncertainties for key LHC processes such as electroweak gauge boson production and Higgs boson production in gluon fusion. We study the phenomenological implications of PDF4LHC21 for a representative selection of inclusive, fiducial, and differential cross sections at the LHC. The PDF4LHC21 combination is made available via the LHAPDF library and provides a robust, user-friendly, and efficient method to estimate the PDF uncertainties associated to theoretical calculations for the upcoming Run III of the LHC and beyond.

quantum chromodynamics↗
DOE OSTI2024

Causal sets and an emerging continuum

Abstract Causal set theory offers a simple and elegant picture of discrete physics. But the vast majority of causal sets look nothing at all like continuum spacetimes, and must be excluded in some way to obtain a realistic theory. I describe recent results showing that almost all non-manifoldlike causal sets are, in fact, very strongly suppressed in the gravitational path integral. This does not quite demonstrate the emergence of a continuum—we do not yet understand the remaining unsuppressed causal sets well enough—but it is a significant step in that direction.

Astronomy & Astrophysics↗
DOE OSTI2022

Scattering Amplitudes and QFT Insight (Final Scientific Report)

The calculation of scattering amplitudes provides an invariant window into the physical dynamic content of relativistic quantum field theory. Yet with traditional methods, for empirically relevant theories, these calculations scale with a factorial complexity in external particles and precision. If we aspire to collapse the theoretical uncertainty obscuring new physics hidden at all scales from the microscopic probed at high energy colliders to the largest effective field theory in the universe governing the evolution of large scale structure, this complexity challenge necessitates new ideas and methods in calculation. Novel approaches like the color-kinematics duality and the associated double-copy construction have drastically simplified the situation, relating both gauge and gravity theory predictions to a much smaller kernel of invariant kinematic data. This project supporting research by the PI's Amplitudes and Insights group at Northwestern University looked to push insight deep into both the IR and the UV by establishing how novel structures must constrain the predictions of counterterms in both gauge and gravity theories, setting the groundwork to exploring the high energy behavior of particular gravity theories via constituent gauge-theory calculations, and confronting fundamental challenges at the interface between QFT amplitudes analysis and next generation gravitational wave science as well as well as inflationary and large scale structure cosmology.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

MFANS 2024 - Formally Proving Characteristics of Cyber-Physical Systems

Cyber-physical systems (CPS) are engineered systems that rely on the smooth integration of computational algorithms and physical elements. This integration presents new challenges for verifying that systems will behave as expected. The goal of this presentation is to present current challenges and potential solutions for the formal verification of cyber-physical systems. For cyber systems, formal methods refer to systematically rigorous mathematical techniques employed in the specification, development, analysis, and verification of both software and hardware systems. Recent advancements in computer science have yielded sophisticated tools specifically designed to address challenges associated with formal methods in complex systems. These tools leverage various foundational concepts such as logic, formal languages, program semantics, type systems, type theory, and automata theory. A notable achievement in the application of formal methods is the seL4 microkernel, claimed to be the first general-purpose operating-system kernel to be verified. Its proof implies the absence of bugs and guarantees that the kernel meets specifications. For physical systems, dynamic and control theory has a history of using rigorous analytic techniques to prove functional correctness. Lyapunov, optimal, classical, modern, and robust control theories all provide rigorous mathematical methods both to analyze system performance and to design controller that can be guaranteed to meet certain objectives. Recent computational techniques like level set theory and reachability analysis provide assertions that a system's state will avoid unsafe regions. Even though success has been independently achieved for cyber systems and physical systems, the integration of such systems creates new challenges. In particular, there is an obvious discrepancy between finite-state machines and infinite-state systems, resulting in different approaches for modeling and analyzing these system. While it is possible to simulate hybrid systems, this provides only a demonstration of a performance and not proof. For hybrid systems, current formal methods and system analysis approaches typically require a workarounds to work on hybrid systems like CPS. This paper will outline the state of the art and limits of current practice for formally verifying CPS and will identify possible research directions that require attention.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Classical and quantum stability in putative landscapes

Landscape analyses often assume the existence of large numbers of fields, N, with all of the many couplings among these fields (subject to constraints such as local supersymmetry) selected independently and randomly from simple (say Gaussian) distributions. We point out that unitarity and perturbativity place significant constraints on behavior of couplings with N, eliminating otherwise puzzling results. In would-be flux compactifications of string theory, we point out that in order that there be large numbers of light fields, the compactification radii must scale as a positive power of N; scaling of couplings with N may also be necessary for perturbativity. We show that in some simple string theory settings with large numbers of fields, for fixed R and string coupling, one can bound certain sums of squares of couplings by order one numbers. This may argue for strong correlations, possibly calling into question the assumption of uncorrelated distributions. Finally, we consider implications of these considerations for classical and quantum stability of states without supersymmetry, with low energy supersymmetry arising from tuning of parameters, and with dynamical breaking of supersymmetry.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Improved Modelling for the Assembly Discontinuity Factors in the APEC Method

Modern reactor analysis of light water reactor depends largely on a two-step procedure based on the simplified equivalence theory (SET). Consequently, the resulting homogenized two-group cross-section (XS) and associated discontinuity factor (DF) are subject to noticeable, intrinsic uncertainties. In our previous study, we introduced the albedo-corrected parameterized equivalence constants (APEC) method, which is a new leakage correction method applicable to the fuel assembly homogenized two-group XS of the standard two-step procedure. In the APEC method, fuel assembly two-group XS is expressed as a simple polynomial function of assembly-wise current-to-flux ratio (CFR), and it was demonstrated that two-group XSs can be well corrected during a nodal calculation and the nodal accuracy is improved a lot. However, since the conventional assembly discontinuity factor (ADF) is still used in the current APEC method, a small but non-negligible error is unavoidable. Therefore, it is necessary to include improved DF model in the APEC method for a higher accuracy. The functionalized discontinuity factor (FDF) using the definition of CFR was investigated by authors before the development of the APEC method, where it was motivated by the boundary perturbation theory by F. Rahnema. However, in our previous study on FDF, lattice calculations were performed only with one-dimensional two-group diffusion equation and could not be applied to actual core analysis. In this paper, feasibility study of DF functionalization is performed based on a 2-D method of characteristics (MOC) lattice code, DeCART2D.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2016

Inverted initial conditions: Exploring the growth of cosmic structure and voids

We introduce and explore “paired” cosmological simulations. A pair consists of an A and B simulation with initial conditions related by the inversion δ A (x,t initial ) = –δ B (x,t initial ) (underdensities substituted for overdensities and vice versa). We argue that the technique is valuable for improving our understanding of cosmic structure formation. The A and B fields are by definition equally likely draws from ΛCDM initial conditions, and in the linear regime evolve identically up to the overall sign. As nonlinear evolution takes hold, a region that collapses to form a halo in simulation A will tend to expand to create a void in simulation B. Applications include (i) contrasting the growth of A-halos and B-voids to test excursion-set theories of structure formation, (ii) cross-correlating the density field of the A and B universes as a novel test for perturbation theory, and (iii) canceling error terms by averaging power spectra between the two boxes. Furthermore, generalizations of the method to more elaborate field transformations are suggested.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Multilane Automated Driving With Optimal Control and Mixed-Integer Programming

Road vehicle lane changes often initiate traffic disturbances and can therefore impact road networks’ energy and time efficiency. Furthermore, unexpected changes in traffic conditions may also render lane changes counterproductive for the lane-changing vehicle. Vehicle-to-vehicle connectivity combined with anticipative control could address these challenges via improved lane change decisions by automated vehicles. In a move toward this objective, receding horizon control cast as a mixed-integer quadratic program is used to plan lane changing and acceleration in a coupled optimization. A long-term pacing module, based on Pontryagin’s minimum principle from optimal control theory, sets terminal and input references for receding horizon control to target a user’s expected travel time. To remove nonlinear vehicle dynamics from the receding horizon controller, lane change commands are passed to a pure pursuit steering module whose response is approximated by a second-order linear model. Here, comparison against a rule-based reactive algorithm in arterial and highway scenarios shows an 8.9%–13.7% reduction in energy consumption and a 5.2%–10.3% reduction in the travel time, along with navigational improvements.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2016

Marker-free registration of forest terrestrial laser scanner data pairs with embedded confidence metrics

Terrestrial laser scanning (TLS) has emerged as an effective tool for rapid comprehensive measurement of object structure. Registration of TLS data is an important prerequisite to overcome the limitations of occlusion. However, due to the high dissimilarity of point cloud data collected from disparate viewpoints in the forest environment, adequate marker-free registration approaches have not been developed. The majority of studies instead rely on the utilization of artificial tie points (e.g., reflective tooling balls) placed within a scene to aid in coordinate transformation. We present a technique for generating view-invariant feature descriptors that are intrinsic to the point cloud data and, thus, enable blind marker-free registration in forest environments. To overcome the limitation of initial pose estimation, we employ a voting method to blindly determine the optimal pairwise transformation parameters, without an a priori estimate of the initial sensor pose. To provide embedded error metrics, we developed a set theory framework in which a circular transformation is traversed between disjoint tie point subsets. This provides an upper estimate of the Root Mean Square Error (RMSE) confidence associated with each pairwise transformation. Output RMSE errors are commensurate with the RMSE of input tie points locations. Thus, while the mean output RMSE=16.3cm, improved results could be achieved with a more precise laser scanning system. This study 1) quantifies the RMSE of the proposed marker-free registration approach, 2) assesses the validity of embedded confidence metrics using receiver operator characteristic (ROC) curves, and 3) informs optimal sample spacing considerations for TLS data collection in New England forests. Furthermore, while the implications for rapid, accurate, and precise forest inventory are obvious, the conceptual framework outlined here could potentially be extended to built environments.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Threshold progressions in covering and packing contexts

Here, using standard methods (due to Janson, Stein–Chen, and Talagrand) from probabilistic combinatorics, we explore the following general theme: As one progresses from each member of a family of objects $\mathcal{A}$ being “covered” by at most one object in a random collection $\mathcal{C}$, to being covered at most λ times, to being covered at least once, to being covered at least λ times, a hierarchy of thresholds emerge. We will use examples from extremal set theory, combinatorics, and additive number theory to see how these results vary according to the context, and level of dependence introduced.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Achieving performance portability in Gaussian basis set density functional theory on accelerator based architectures in NWChemEx

The numerical integration of the exchange–correlation (XC) potential is one of the primary computational bottlenecks in Gaussian basis set Kohn–Sham density functional theory (KS-DFT). To achieve optimal performance and accuracy, care must be taken in this numerical integration to preserve local sparsity as to allow for near linear weak scaling with system size. This leads to an integration scheme with several performance critical kernels which must be hand optimized for each architecture of interest. As the set of available accelerator hardware goes more diverse, a key challenge for developers of KS-DFT software is to maintain performance portability across a wide range of computational architectures. In this article, we examine a modular software design pattern which decouples the implementation details of performance critical kernels from the expression of high-level algorithmic workflows in a device-agnostic language such as C++; thus allowing for developers to target existing and emerging accelerator hardware within a single code base. We consider the efficacy of such a design pattern in the numerical integration of the XC potential by demonstrating its ability to achieve performance portability across a set of accelerator architectures which are representative of those on current and future U.S. Department of Energy Leadership Computing Facilities.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Studying excited-state-specific perturbation theory on the Thiel set

Here, we explore the performance of a recently introduced N 5 -scaling excited-state-specific second order perturbation theory (ESMP2) on the singlet excitations of the Thiel benchmarking set. We find that, without regularization, ESMP2 is quite sensitive to π system size, performing well in molecules with small π systems but poorly in those with larger π systems. With regularization, ESMP2 is far less sensitive to π system size and shows a higher overall accuracy on the Thiel set than CC2, equation of motion-coupled cluster with singles and doubles, CC3, and a wide variety of time-dependent density functional approaches. Unsurprisingly, even regularized ESMP2 is less accurate than multi-reference perturbation theory on this test set, which can, in part, be explained by the set’s inclusion of some doubly excited states but none of the strong charge transfer states that often pose challenges for state-averaging. Beyond energetics, we find that the ESMP2 doubles norm offers a relatively low-cost way to test for doubly excited character without the need to define an active space.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Adaptive local basis set for Kohn–Sham density functional theory in a discontinuous Galerkin framework II: Force, vibration, and molecular dynamics calculations

Recently, we have proposed the adaptive local basis set for electronic structure calculations based on Kohn–Sham density functional theory in a pseudopotential framework. The adaptive local basis set is efficient and systematically improvable for total energy calculations. In this paper, we present the calculation of atomic forces, which can be used for a range of applications such as geometry optimization and molecular dynamics simulation. We demonstrate that, under mild assumptions, the computation of atomic forces can scale nearly linearly with the number of atoms in the system using the adaptive local basis set. We quantify the accuracy of the Hellmann–Feynman forces for a range of physical systems, benchmarked against converged planewave calculations, and find that the adaptive local basis set is efficient for both force and energy calculations, requiring at most a few tens of basis functions per atom to attain accuracies required in practice. Since the adaptive local basis set has implicit dependence on atomic positions, Pulay forces are in general nonzero. However, we find that the Pulay force is numerically small and systematically decreasing with increasing basis completeness, so that the Hellmann–Feynman force is sufficient for basis sizes of a few tens of basis functions per atom. We verify the accuracy of the computed forces in static calculations of quasi-1D and 3D disordered Si systems, vibration calculation of a quasi-1D Si system, and molecular dynamics calculations of H{sub 2} and liquid Al–Si alloy systems, where we show systematic convergence to benchmark planewave results and results from the literature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗