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All sources NASA NTRS DOE OSTI

DOE OSTI2021

Constraints on a massive double-copy and applications to massive gravity

We propose and study a BCJ double-copy of massive particles, showing that it is equivalent to a KLT formula with a kernel given by the inverse of a matrix of massive bi-adjoint scalar amplitudes. For models with a uniform non-zero mass spectrum we demonstrate that the resulting double-copy factors on physical poles and that up to at least 5-particle scattering, color-kinematics duality satisfying numerators always exist. For the scattering of 5 or more particles, the procedure generically introduces spurious singularities that must be cancelled by imposing additional constraints. When massive particles are present, color-kinematics duality is not enough to guarantee a physical double-copy. As an example, we apply the formalism to massive Yang-Mills and show that up to 4-particle scattering the double-copy construction generates physical amplitudes of a model of dRGT massive gravity coupled to a dilaton and a two-form with dilaton parity violating couplings. We show that the spurious singularities in the 5-particle double-copy do not cancel in this example, and the construction fails to generate physically sensible amplitudes. We conjecture sufficient constraints on the mass spectrum, which in addition to massive BCJ relations, guarantee the absence of spurious singularities.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS2000

Formation Flying In Highly Elliptical Orbits Initializing the Formation

In this paper several methods are examined for initializing formations in which all spacecraft start in a common elliptical orbit subsequent to separation from the launch vehicle. The tetrahedron formation used on missions such as the Magnetospheric Multiscale (MMS), Auroral Multiscale Midex (AMM), and Cluster is used as a test bed Such a formation provides full three degrees-of-freedom in the relative motion about the reference orbit and is germane to several missions. The type of maneuver strategy that can be employed depends on the specific initial conditions of each member of the formation. Single-impulse maneuvers based on a Gaussian variation-of-parameters (VOP) approach, while operationally simple and intuitively-based, work only in a limited sense for a special class of initial conditions. These 'tailored' initial conditions are characterized as having only a few of the Keplerian elements different from the reference orbit. Attempts to achieve more generic initial conditions exceed the capabilities of the single impulse VOP. For these cases, multiple-impulse implementations are always possible but are generally less intuitive than the single-impulse case. The four-impulse VOP formalism discussed by Schaub is examined but smaller delta-V costs are achieved in our test problem by optimizing a Lambert solution.

Mailhe, Laurie↗

NASA NTRS1994

Formalizing procedures for operations automation, operator training and spacecraft autonomy

The generation and validation of operations procedures is a key task of mission preparation that is quite complex and costly. This has motivated the development of software applications providing support for procedures preparation. Several applications have been developed at MATRA MARCONI SPACE (MMS) over the last five years. They are presented in the first section of this paper. The main idea is that if procedures are represented in a formal language, they can be managed more easily with a computer tool and some automatic verifications can be performed. One difficulty is to define a formal language that is easy to use for operators and operations engineers. From the experience of the various procedures management tools developed in the last five years (including the POM, EOA, and CSS projects), MMS has derived OPSMAKER, a generic tool for procedure elaboration and validation. It has been applied to quite different types of missions, ranging from crew procedures (PREVISE system), ground control centers management procedures (PROCSU system), and - most relevant to the present paper - satellite operation procedures (PROCSAT developed for CNES, to support the preparation and verification of SPOT 4 operation procedures, and OPSAT for MMS telecom satellites operation procedures).

Lecouat, Francois↗

NASA NTRS1998

Scale in Remote Sensing and GIS: An Advancement in Methods Towards a Science of Scale

The term "scale", both in space and time, is central to remote sensing and Geographic Information Systems (GIS). The emergence and widespread use of GIS technologies, including remote sensing, has generated significant interest in addressing scale as a generic topic, and in the development and implementation of techniques for dealing explicitly with the vicissitudes of scale as a multidisciplinary issue. As science becomes more complex and utilizes databases that are capable of performing complex space-time data analyses, it becomes paramount that we develop the tools and techniques needed to operate at multiple scales, to work with data whose scales are not necessarily ideal, and to produce results that can be aggregated or disaggregated ways that suit the decision-making process. Contemporary science is constantly coping with compromises, and the data available for a particular study rarely fit perfectly with the scales at which the processes being investigated operate, or the scales that policy-makers require to make sound, rational decisions. This presentation discusses some of the problems associated with scale as related to remote sensing and GIS, and describes some of the questions that need to be addressed in approaching the development of a multidisciplinary "science of scale". Techniques for dealing with multiple scaled data that have been developed or explored recently are described as a means for recognizing scale as a generic issue, along with associated theory and tools that can be of simultaneous value to a large number of disciplines. These can be used to seek answers to a host of interrelated questions in the interest of providing a formal structure for the management and manipulation of scale and its universality as a key concept from a multidisciplinary perspective.

Quattrochi, D. A.↗

NASA NTRS1998

Scale in Remote Sensing and GIS: An Advancement in Methods Towards a Science of Scale

The term "scale", both in space and time, is central to remote sensing and geographic information systems (GIS). The emergence and widespread use of GIS technologies, including remote sensing, has generated significant interest in addressing scale as a generic topic, and in the development and implementation of techniques for dealing explicitly with the vicissitudes of scale as a multidisciplinary issue. As science becomes more complex and utilizes databases that are capable of performing complex space-time data analyses, it becomes paramount that we develop the tools and techniques needed to operate at multiple scales, to work with data whose scales are not necessarily ideal, and to produce results that can be aggregated or disaggregated in ways that suit the decision-making process. Contemporary science is constantly coping with compromises, and the data available for a particular study rarely fit perfectly with the scales at which the processes being investigated operate, or the scales that policy-makers require to make sound, rational decisions. This presentation discusses some of the problems associated with scale as related to remote sensing and GIS, and describes some of the questions that need to be addressed in approaching the development of a multidisciplinary "science of scale". Techniques for dealing with multiple scaled data that have been developed or explored recently are described as a means for recognizing scale as a generic issue, along with associated theory and tools that can be of simultaneous value to a large number of disciplines. These can be used to seek answers to a host of interrelated questions in the interest of providing a formal structure for the management and manipulation of scale and its universality as a key concept from a multidisciplinary perspective.

Quattrochi, Dale A.↗

DOE OSTI2025

Dissipation-assisted steady-state entanglement engineering based on electron transfer models

Here, we propose a series of dissipation-assisted entanglement generation protocols that can be implemented on a trapped-ion quantum simulator. Our approach builds on the single-site molecular electron transfer (ET) model recently realized in experiment [So et al., Sci. Adv. 10, eads8011 (2024)]. This model leverages spin-dependent boson displacement and dissipation controlled by sympathetic cooling. We show that, when coupled to external degrees of freedom, the ET model can be used as a dissipative quantum control mechanism, enabling the precise tailoring of both spin and boson steady states of a target subsystem. We derive simplified analytical formalisms that offer intuitive insights into the dissipative dynamics. Using realistic interactions in a trapped-ion system, we develop a protocol for generating 𝑁-qubit and 𝑁-boson 𝑊 states. Additionally, we generalize this protocol to realize generic 𝑁-qubit Dicke states with tunable excitation numbers. Finally, we outline a realistic experimental setup to implement our schemes in the presence of noise sources.

chemical charge transfer↗

NASA NTRS1995

STS-69 Space Shuttle Mission Report

The STS-69 Space Shuttle Program Mission Report summarizes the Payload activities as well as the Orbiter, External Tank (ET), Solid Rocket Booster (SRB), Reusable Solid Rocket Motor (RSRM), and the Space Shuttle main engine (SSME) systems performance during the seventy-first flight of the Space Shuttle Program, the forty-sixth flight since the return-to-flight, and the ninth flight of the Orbiter Endeavour(OV-105). In addition to the Orbiter, the flight vehicle consisted of an ET that was designated ET-72; three SSME's that were designated as serial numbers 2035, 2109, and 2029 in positions 1, 2, and 3, respectively; and two SRB's that were designated BI-074. The RSRMS, designated RSRM-44, were installed in each SRB and the individual RSRM's were designated as 36OL048A for the left SRB, and 36OW048B for the right SRB. The primary objectives of this flight were to perform the operations necessary to fulfill the requirments of Wake Shield Facility (WSF) and SPARTAN-201. The secondary objectives were to perform the operation of the International Extreme Ultraviolet Hitchhiker (IEH-1), the Capillary Pumped Loop-2/GAS Bridge Assembly (CAPL-2/GBA), Thermal Energy Storage (TES), Auroral Photography Experiment-B (APE-B) and the Extravehicular Activity (EVA) Development Flight Test 02 (EDFT-02), the Biological Research in Canister (BRIC) payload, the Commercial Generic Bioprocessing Apparatus (CGBA) payload, the Electrolysis Performance Improvement Concept Study (EPICS) payload, the Space Tissue Loss, National Institute of Health-Cells (STL/NIH-CS) payload, and the Commercial Middeck Instrumentation Technology Associates Experiment (CMIX). Appendix A lists the sources of data, both formal and informal, that were used to prepare this report. Appendix B provides the definition of acronyms and abbreviations used throughout the report. All times during the flight are given in Greenwich mean time (GMT) and mission elapsed time (MET).

Fricke, Robert W., Jr.↗

DOE OSTI2021

Modular flow of excited states

We develop new techniques for studying the modular and the relative modular flows of general excited states. We show that the class of states obtained by acting on the vacuum (or any cyclic and separating state) with invertible operators from the algebra of a region is dense in the Hilbert space. This enables us to express the modular and the relative modular operators, as well as the relative entropies of generic excited states in terms of the vacuum modular operator and the operator that creates the state. In particular, the modular and the relative modular flows of any state can be expanded in terms of the modular flow of operators in vacuum. We illustrate the formalism with simple examples including states close to the vacuum, and coherent and squeezed states in generalized free field theory.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

Functional prescription for EFT matching

We simplify the one-loop functional matching formalism to develop a streamlined prescription. The functional approach is conceptually appealing: all calculations are performed within the UV theory at the matching scale, and no prior determination of an Effective Field Theory (EFT) operator basis is required. Our prescription accommodates any relativistic UV theory that contains generic interactions (including derivative couplings) among scalar, fermion, and vector fields. As an example application, we match the singlet scalar extended Standard Model (SM) onto SMEFT.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Partial-wave projection of relativistic three-body amplitudes

We derive the integral equations for partial-wave projected three-body scattering amplitudes, starting from the integral equations for three-body amplitudes developed for lattice QCD analyses. The results, which hold for generic three-body systems of spinless particles, build upon the recently derived partial-wave projected one-particle exchange, a primary component of the relativistic framework proven to satisfy 𝑆 matrix unitarity. We derive simplified expressions for factorizable short-distance interactions, 𝒦 3 , in two equivalent formalisms—one symmetric under particle interchange and one asymmetric. For the asymmetric case, we offer parametrizations useful for amplitude analysis. Finally, we examine toy models for 3⁢𝜋 systems at unphysically heavy pion masses with total isospins 0, 1, and 2.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

Illustrated formalisms for total scattering data: a guide for new practitioners

The total scattering method is the simultaneous study of both the real- and reciprocal-space representations of diffraction data. While conventional Bragg-scattering analysis (employing methods such as Rietveld refinement) provides insight into the average structure of the material, pair distribution function (PDF) analysis allows for a more focused study of the local atomic arrangement of a material. Generically speaking, a PDF is generated by Fourier transforming the total measured reciprocal-space diffraction data (Bragg and diffuse) into a real-space representation. However, the details of the transformation employed and, by consequence, the resultant appearance and weighting of the real-space representation of the system can vary between different research communities. As the worldwide total scattering community continues to grow, these subtle differences in nomenclature and data representation have led to conflicting and confusing descriptions of how the PDF is defined and calculated. This paper provides a consistent derivation of many of these different forms of the PDF and the transformations required to bridge between them. Some general considerations and advice for total scattering practitioners in selecting and defining the appropriate choice of PDF in their own research are presented. This contribution aims to benefit people starting in the field or trying to compare their results with those of other researchers.

36 MATERIALS SCIENCE↗

DOE OSTI2024

cclib 2.0: An updated architecture for interoperable computational chemistry

Interoperability in computational chemistry is elusive, impeded by the independent development of software packages and idiosyncratic nature of their output files. The cclib library was introduced in 2006 as an attempt to improve this situation by providing a consistent interface to the results of various quantum chemistry programs. The shared API across programs enabled by cclib has allowed users to focus on results as opposed to output and to combine data from multiple programs or develop generic downstream tools. Initial development, however, did not anticipate the rapid progress of computational capabilities, novel methods, and new programs; nor did it foresee the growing need for customizability. Here, we recount this history and present cclib 2, focused on extensibility and modularity. We also introduce recent design pivots—the formalization of cclib’s intermediate data representation as a tree-based structure, a new combinator-based parser organization, and parsed chemical properties as extensible objects.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

MBX: A many-body energy and force calculator for data-driven many-body simulations

Many-Body eXpansion (MBX) is a C++ library that implements many-body potential energy functions (PEFs) within the “many-body energy” (MB-nrg) formalism. MB-nrg PEFs integrate an underlying polarizable model with explicit machine-learned representations of many-body interactions to achieve chemical accuracy from the gas to the condensed phases. MBX can be employed either as a stand-alone package or as an energy/force engine that can be integrated with generic software for molecular dynamics and Monte Carlo simulations. MBX is parallelized internally using Open Multi-Processing and can utilize Message Passing Interface when available in interfaced molecular simulation software. In this study, MBX enables classical and quantum molecular simulations with MB-nrg PEFs, as well as hybrid simulations that combine conventional force fields and MB-nrg PEFs, for diverse systems ranging from small gas-phase clusters to aqueous solutions and molecular fluids to biomolecular systems and metal-organic frameworks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1994

Utilizing inheritance in requirements engineering

The scope of this paper is the utilization of inheritance for requirements specification, i.e., the tasks of analyzing and modeling the domain, as well as forming and defining requirements. Our approach and the tool supporting it are named RETH (Requirements Engineering Through Hypertext). Actually, RETH uses a combination of various technologies, including object-oriented approaches and artificial intelligence (in particular frames). We do not attempt to exclude or replace formal representations, but try to complement and provide means for gradually developing them. Among others, RETH has been applied in the CERN (Conseil Europeen pour la Rechereche Nucleaire) Cortex project. While it would be impossible to explain this project in detail here, it should be sufficient to know that it deals with a generic distributed control system. Since this project is not finished yet, it is difficult to state its size precisely. In order to give an idea, its final goal is to substitute the many existing similar control systems at CERN by this generic approach. Currently, RETH is also tested using real-world requirements for the Pastel Mission Planning System at ESOC in Darmstadt. First, we outline how hypertext is integrated into a frame system in our approach. Moreover, the usefulness of inheritance is demonstrated as performed by the tool RETH. We then summarize our experiences of utilizing inheritance in the Cortex project. Lastly, RETH will be related to existing work.

Kaindl, Hermann↗

NASA NTRS2018

Project-domain Science Traceability and Alignment Framework (P-STAF): Analysis of a Payload Architecture

Large science-focused space missions often have multiple instruments working together to address broad science goals. Systems engineers on these types of projects must work with the project scientists to evaluate trades and make decisions that result in a system that efficiently serves the mission science goals. This collaboration is more effective if the systems engineers understand both the traceability from the L1 customer requirements to the selected instruments and the contributions of each instrument in the context of the whole payload suite. These relationships might be understood implicitly by the science team on a project, but there is value in formally codifying them so this understanding can be accessed and formally analyzed by a broader systems engineering effort. We first described a framework for this communication, called the Project-domain Science Traceability and Alignment Framework (P-STAF), in the IEEE 2017 paper “A Framework for Extending the Science Traceability Matrix: Application to the Planned Europa Mission.” This paper shows how that basic framework can be leveraged to not only formally capture these relationships between the instruments and the customer needs, but also how that information can be codified in an analyzable graph that can be queried to provide a better understanding of mission risks and scope. This work was drawn from the application of P-STAF to the Europa Clipper mission, but generic example networks are used to illustrate the power of this technique.

Reinholtz, Kirk↗

NASA NTRSDate not supplied

Detecting and Characterizing Patterns of Failure in Complex Engineered Systems: an Ontology Development and Clustering Approach

While the causes of failures in complex engineered systems are often clear in hindsight, it can be challenging to predict failures proactively during the design of novel engineered products or systems. Identifying patterns can be useful for capturing common characteristics that may lead to failure. In this paper, we present a methodology for identifying patterns of failure from NASA’s publicly available Lessons Learned Information System (LLIS). We apply an ontology development and clustering approach to identify representative patterns leading to failures in historical lessons learned. A joint inductive-deductive approach reveals the key themes in lessons that lead to failure, which are formalized and recorded as an ontology of complex systems failure causes. Documents from the LLIS are manually tagged with relevant characteristics from the ontology. From the tagged set, clustering is used to capture co-occurring sets of characteristics that lead to failure. The primary contribution of this work is a method for extracting a set of generic failure patterns in complex engineered systems and characteristics for these patterns that can be identified at design time, knowledge of which can be used to plan mitigation strategies.

Systems Engineering↗

NASA NTRSDate not supplied

Detecting and Characterizing Patterns of Failure in Complex Systems: An Ontology Development and Clustering Approach

Systems Engineering↗

DOE OSTI2026

Fortran mimetic abstraction language (Formal) v0.1.

The Fortran mimetic abstraction language ("Formal") is a domain-specific language (DSL) embedded in Fortran 202Y [1]. Formal provides novel software abstractions for simulating phenomena governed by the partial differential equations (PDEs) of vector and tensor calculus. Such equations model an extremely broad set of physical phenomena, ranging from atmospheric winds to light propagation. Formal's data structures and algorithms mimic in form and behavior continuous functions and operators. Formal supports these mathematical constructs using mimetic discretizations that define a discrete calculus satisfying various tensor calculus theorems, thereby ensuring high-fidelity representations of the physics being modeled. [2] Formal 0.1.0 also lays a foundation for the future use of Fortran 202Y type-safe templates to facilitate the formal verification of tensor contractions in computational physics and artificial intelligence [3]. [1] "Fortran 202Y" is Fortran standard committee's informal designation for the next Fortran revision, which will likely be "Fortran 2028". [2] Corbino, J. and Castillo, J. (2020) Journal of Computational and Applied Mathematics, https://doi.org/10.1016/j.cam.2019.06.042. [3] Haveraaen, M., Järvi, J., & Rouson, D. (2019). Reflecting on Generics for Fortran. https://j3-fortran.org/doc/year/19/19-188.pdf.

Rouson, Damian [Lawrence Berkeley National Laborat↗