Results for “open subsystem”

DOE OSTI2020

Quantum embedding for material chemistry based on domain separation and open subsystems

Our perspective considers two theories we recently proposed to perform quantum embedding calculations for chemical systems: domain-separated density functional theory (DSDFT) and locally coupled open subsystems (LCOS). The development includes both the fundamentals of each theory as well as potential applications, some technical aspects, and related challenges. DS-DFT is suited to study intramolecular effects, where one can apply a high level of theory (based on DFT or wave function theory) to a region of interest inside a molecule or solid, and lower level theory elsewhere, with smooth switching between the regions. LCOS, in contrast, is a fragment-based embedding which offers computational advantages to study intermolecular behavior such as electron hopping, spin-environment interaction, and charge transfer excitations. Yet, both theories can exchange roles when appropriate. In addition, these theories allow for control of computational scaling of their algorithms. We investigate paths to determine the charge-transfer operator used in LCOS, and suggest an auxiliary energy minimization that can provide a practical estimate to this operator. We also briefly discuss how to implement density fitting techniques in domain separation, and how domain separation can be used for pure wavefunction-based embedding.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2022

Electron and Electron-Nuclear Dynamics of Open Quantum Subsystems

Leveraging an open-subsystem formulation of Density Functional Theory (DFT) we aim at describing periodic and molecular systems alike, including their electronic and nuclear dynamics. Subsystem DFT enables first principles simulations to approach realistic time- and length-scales, and most importantly sheds light on the dynamical behavior of complex systems. Taking subsystem DFT to the time domain allows us to inspect the electron dynamics of condensed-phase systems in real time. In liquids and interfaces, we observe all the relevant regimes proper of non-Markovian open quantum system dynamics, such as electronic energy transfer, and screening. In addition, the ab-initio modeling of system-bath interactions brought us to observe and justify the holographic time-dependent electron density theorem. Contrary to interactions between molecular (finite) systems, when molecules interact with metal or semiconductor surfaces the electron dynamics is strongly non-Markovian with dramatic repercussions to the molecule’s response to external perturbations. Metals and semiconductors typically have large polarizabilities, and even in a regime of low coupling their effect on impinging molecular species is significant–line broadening, peak shift, and intensity borrowing are observed, characterized, and explained in terms of inter-subsystem dynamical interactions and a many-body decomposition of the system’s density-density response function in a way that transcends the canons of Fermi Golden Rule.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2022

A general framework for gravitational charges and holographic renormalization

We develop a general framework for constructing charges associated with diffeomorphisms in gravitational theories using covariant phase space techniques. This framework encompasses both localized charges associated with space–time subregions, as well as global conserved charges of the full space–time. Expressions for the charges include contributions from the boundary and corner terms in the subregion action, and are rendered unambiguous by appealing to the variational principle for the subregion, which selects a preferred form of the symplectic flux through the boundaries. The Poisson brackets of the charges on the subregion phase space are shown to reproduce the bracket of Barnich and Troessaert for open subsystems, thereby giving a novel derivation of this bracket from first principles. In the context of asymptotic boundaries, we show that the procedure of holographic renormalization can be always applied to obtain finite charges and fluxes once suitable counterterms have been found to ensure a finite action. This enables the study of larger asymptotic symmetry groups by loosening the boundary conditions imposed at infinity. We further present an algorithm for explicitly computing the counterterms that renormalize the action and symplectic potential, and, as an application of our framework, demonstrate that it reproduces known expressions for the charges of the generalized Bondi–Metzner–Sachs algebra.

Physics↗

NASA NTRS1983

Active control technology development at NASA

It is noted that the large space systems deployable by means of the Space Shuttle will have increased flexibility, and therefore unprecedented interaction between control and other subsystems. Open loop performance in such systems would be grossly inadequate, prompting active control method development to achieve the required performance levels. The structures in question encompass those of projected science and communications platforms, interplanetary space transportation systems, and manned permanent space stations.

Dahlgren, J. B.↗

NASA NTRS2012

Applications of Nanosats to Planetary Exploration

NanoSat technology has opened Earth orbit to extremely low-cost science missions through a common interface that provides greater launch accessibility. A natural question is the role that CubeSat-derived NanoSats could play to increase the science return of deep space missions. We do not consider single instrument nano-satellites as likely to complete entire Discovery-class missions alone, but believe that nano-satellites could augment larger missions to significantly increase science return. The key advantages offered by these mini-spacecrafts over previous planetary probes is the common availability of advanced subsystems that open the door to a large variety of science experiments, including new guidance, navigation and control capabilities. In this paper, multiple NanoSat science applications are suggested that could take advantage of these features. We also address the significant challenges and questions that remain as obstacles to the use of nano-satellites in deep space missions. Finally, we provide some thoughts on a development roadmap toward interplanetary usage of NanoSpacecraft.

Klesh, Andrew T.↗

NASA NTRS2012

Nano-Satellite Secondary Spacecraft on Deep Space Missions

NanoSat technology has opened Earth orbit to extremely low-cost science missions through a common interface that provides greater launch accessibility. They have also been used on interplanetary missions, but these missions have used one-off components and architectures so that the return on investment has been limited. A natural question is the role that CubeSat-derived NanoSats could play to increase the science return of deep space missions. We do not consider single instrument nano-satellites as likely to complete entire Discovery-class missions alone,but believe that nano-satellites could augment larger missions to significantly increase science return. The key advantages offered by these mini-spacecrafts over previous planetary probes is the common availability of advanced subsystems that open the door to a large variety of science experiments, including new guidance, navigation and control capabilities. In this paper, multiple NanoSat science applications are investigated, primarily for high risk/high return science areas. We also address the significant challenges and questions that remain as obstacles to the use of nano-satellites in deep space missions. Finally, we provide some thoughts on a development roadmap toward interplanetary usage of NanoSpacecraft.

Klesh, Andrew T.↗

DOE OSTI2026

General framework for quantifying dissipation pathways in open quantum systems. III. Off-diagonal subsystem–bath couplings

This paper extends the previously reported theory of dissipation pathways [C. W. Kim and I. Franco, J. Chem. Phys. 160, 214111 (2024)] to incorporate off-diagonal subsystem–bath coupling, which is often required to model molecular systems where the environment directly influences transitions and couplings between subsystem states. We systematically derive master equations for both population transfer and dissipation into individual bath components, for which we also rigorously prove energy conservation and detailed balance. The approach is based on second-order perturbation theory with respect to the subsystem–bath couplings, whose form is not limited to any specific model. The accuracy of the developed method is tested by applying it to diverse model Hamiltonians involving linearly coupled harmonic oscillator baths and comparing the outcomes against the hierarchical equations of motion (HEOM) method. Overall, our method accurately quantifies the contributions of specific bath components to the overall dissipation while significantly reducing the computational cost compared to numerically exact methods such as HEOM, thus offering a path to examine how vibronic interactions steer non-adiabatic processes in realistic chemical systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2008

Structural Definition and Mass Estimation of Lunar Surface Habitats for the Lunar Architecture Team Phase 2 (LAT-2) Study

The Lunar Architecture Team Phase 2 study defined and assessed architecture options for a Lunar Outpost at the Moon's South Pole. The Habitation Focus Element Team was responsible for developing concepts for all of the Habitats and pressurized logistics modules particular to each of the architectures, and defined the shapes, volumes and internal layouts considering human factors, surface operations and safety requirements, as well as Lander mass and volume constraints. The Structures Subsystem Team developed structural concepts, sizing estimates and mass estimates for the primary Habitat structure. In these studies, the primary structure was decomposed into a more detailed list of components to be sized to gain greater insight into concept mass contributors. Structural mass estimates were developed that captured the effect of major design parameters such as internal pressure load. Analytical and empirical equations were developed for each structural component identified. Over 20 different hard-shell, hybrid expandable and inflatable soft-shell Habitat and pressurized logistics module concepts were sized and compared to assess structural performance and efficiency during the study. Habitats were developed in three categories; Mini Habs that are removed from the Lander and placed on the Lunar surface, Monolithic habitats that remain on the Lander, and Habitats that are part of the Mobile Lander system. Each category of Habitat resulted in structural concepts with advantages and disadvantages. The same modular shell components could be used for the Mini Hab concept, maximizing commonality and minimizing development costs. Larger Habitats had higher volumetric mass efficiency and floor area than smaller Habitats (whose mass was dominated by fixed items such as domes and frames). Hybrid and pure expandable Habitat structures were very mass-efficient, but the structures technology is less mature, and the ability to efficiently package and deploy internal subsystems remains an open issue.

Dorsey, John T.↗

NASA NTRS2019

NASA Lunar Lander Reference Design

With increased emphasis on lunar exploration and scientific investigation, there is a desire to deliver a wide variety of payloads to the lunar surface. Many of these payloads will require the use of surface mobility capability such as a rover. NASA has combined spacecraft and subsystem engineers from across the Agency to develop a ‘pallet’ lander design intended to deliver and easily deploy a medium-sized payload (~300 kg) to the polar regions of the Moon. The lander provides power to the payload from transit soon after lunar landing. The lander is not intended to survive the lunar night. The design of the lander was based on a minimum set of level 1 requirements where traditional risk, mass, and performance trade parameters were weighed lower than cost. In other words, the team did not sacrifice ‘good enough’ for ‘better’ or ‘best.’ As a NASA class D spacecraft (as defined in NPR 8705.4, Risk Classification for NASA Payloads, the lander employs single-string (i.e., zero-fault-tolerant) systems as a baseline. The design utilizes existing technologies and components where possible, though some enhancements have been targeted in areas such as precision autonomous landing and low-cost structural design/fabrication. It is important to note that these and other derived technologies are extensible to other lander designs and missions. This TP describes the requirements and approaches upon which the lander design is based; discusses key design decisions, analyses, and trades used to derive the design; provides a snapshot of each major subsystem; and identifies open items, issues, and challenges for which work is continuing.

L D Kennedy↗

DOE OSTI2025

Polarization Switching on the Open Surfaces of the Wurtzite Ferroelectric Nitrides: Ferroelectric Subsystems and Electrochemical Reactivity

Binary ferroelectric nitrides are promising materials for information technologies and power electronics. However, polarization switching in these materials is highly unusual. From the structural perspective, polarization reversal is associated with the change of the effective polarity at the surfaces and interfaces from N‐to‐M terminated, suggesting strong coupling between ferroelectric and chemical phenomena. Phenomenologically, macroscopic studies demonstrate the presence of complex time dependent phenomena including wake‐up. Here, in this study, the polarization switching using the multidimensional high‐resolution piezoresponse force microscopy (PFM) and spectroscopy is explored, detecting both the evolution of induced ferroelectric domain, electromechanical response, and surface deformation during first‐order reversal curve measurements. The presence of two weakly coupled ferroelectric subsystems are demonstrated and the bias‐induced electrochemical reactivity. The observed behaviors are very similar to the recent studies of other wurtzite system but additionally include electrochemical reactivity, suggesting the universality of these behaviors for the wurtzite binary ferroelectrics. These studies suggest potential of high‐resolution multimodal PFM spectroscopies to resolve complex coupled polarization dynamics in materials. Furthermore, these PFM based studies are fully consistent with the recent electron microscopy observations of the shark‐teeth like ferroelectric domains in nitrides. Hence, it is believed that these studies establish the universal phenomenological picture of polarization switching in binary wurtzite.

36 MATERIALS SCIENCE↗

NASA NTRS2014

Vision Based Autonomous Robotic Control for Advanced Inspection and Repair

The advanced inspection system is an autonomous control and analysis system that improves the inspection and remediation operations for ground and surface systems. It uses optical imaging technology with intelligent computer vision algorithms to analyze physical features of the real-world environment to make decisions and learn from experience. The advanced inspection system plans to control a robotic manipulator arm, an unmanned ground vehicle and cameras remotely, automatically and autonomously. There are many computer vision, image processing and machine learning techniques available as open source for using vision as a sensory feedback in decision-making and autonomous robotic movement. My responsibilities for the advanced inspection system are to create a software architecture that integrates and provides a framework for all the different subsystem components; identify open-source algorithms and techniques; and integrate robot hardware.

sensory feedback↗

NASA NTRS2015

MarCO: CubeSats to Mars in 2016

In March of 2016, the InSight lander will launch from Vandenberg Air Force Base to begin a 6.5 month cruise to Mars. Soon after InSight separates from the upper stage of the launch vehicle, the two MarCO CubeSats will deploy and independently fly to Mars to support telecommunications relay for InSight’s entry, descent, and landing sequence. These craft will have onboard capability for deep space trajectory correction maneuvers; high-speed direct-to-Earth & DSN-compatible communications; an advanced navigation transponder; a large deployable reflectarray high gain antenna; and a robust software suite. This paper will present preliminary information on the MarCO project, including a concept of operations and details of the CubeSats and subsystem design. MarCO will open the door for NanoSpacecraft to serve in support roles for much larger primary missions – in this case, providing a real-time relay of for the InSight project. It will also be the first CubeSats to reach deep space, building upon the lessons learned from the INSPIRE project. At only a 6U in size, these craft well illustrate the tremendous capability available in a small package.

Krajewski, Joel↗

DOE OSTI2024

Quantum Tensor-Product Decomposition from Choi-State Tomography

The Schmidt decomposition is the go-to tool for measuring bipartite entanglement of pure quantum states. Similarly, it is possible to study the entangling features of a quantum operation using its operator-Schmidt or tensor-product decomposition. While quantum technological implementations of the former are thoroughly studied, entangling properties on the operator level are harder to extract in the quantum computational framework because of the exponential nature of sample complexity. Here, we present an algorithm for unbalanced partitions into a small subsystem and a large one (the environment) to compute the tensor-product decomposition of a unitary the effect of which on the small subsystem is captured in classical memory, while the effect on the environment is accessible as a quantum resource. This quantum algorithm may be used to make predictions about operator nonlocality and effective open quantum dynamics on a subsystem, as well as for finding low-rank approximations and low-depth compilations of quantum circuit unitaries. We demonstrate the method and its applications on a time-evolution unitary of an isotropic Heisenberg model in two dimensions. Published by the American Physical Society 2024

Mansuroglu, Refik (ORCID:000000017352513X)↗

NASA NTRS2004

Open-systems Architecture of a Standardized Command Interface Chip-set for Switching and Control of a Spacecraft Power Bus

This viewgraph presentation reviews the architecture of the The CIA-AlA chip-set is a set of mixed-signal ASICs that provide a flexible high level interface between the spacecraft's command and data handling (C&DH) electronics and lower level functions in other spacecraft subsystems. Due to the open-systems architecture of the chip-set including an embedded micro-controller a variety of applications are possible. The chip-set was developed for the missions to the outer planets. The chips were developed to provide a single solution for both the switching and regulation of a spacecraft power bus. The Open-Systems Architecture allows for other powerful applications.

power switch slice (PSS)↗

NASA NTRSDate not supplied

Integrated Control Design for A Partially Turboelectric Aircraft Propulsion System

Electrified Aircraft Propulsion (EAP) holds great potential for reducing aviation emissions and fuel burn. A variety of EAP architectures have been proposed including partially-turboelectric configurations that combine turbofan engines with motor-driven propulsors. Such architectures exhibit coupling between subsystems and thus require an integrated control solution. To address this need, this paper presents an integrated control design strategy for a commercial single-aisle partially-turboelectric aircraft concept consisting of two wing-mounted turbofan engines and an electric motor driven tailfan propulsor. Within this architecture the turbofans serve the dual purpose of generating thrust and supplying mechanical offtake power used to generate electricity for the tailfan motor. The propulsion control system is tasked with coordinating turbofan and tailfan operation under both steady-state and transient scenarios. The paper introduces a linear state-space representation of the architecture reflecting the coupling between the turbofan and tailfan subsystems along with loop transfer functions reflecting open- and closed-loop system dynamics. Also discussed is an applied strategy for scheduling the tailfan setpoint command based on the average sensed fan speed of the two turbofans. This approach ensures synchronized operation of the turbofan and tailfan subsystems while also allowing the turbofan fuel control design to be simplified. Performance of the integrated control design is assessed through a real-time hardware-in-the-loop test conducted at the NASA Electric Aircraft Testbed. During this test a scaled version of the electrical system and turbomachinery shaft dynamics were implemented in electrical machine hardware and evaluated under closed-loop control. Results from this facility test are presented to illustrate the efficacy of the applied integrated control design approach under steady-state and transient scenarios including a full-flight mission profile.

Electrified Aircraft Propulsion↗

NASA NTRSDate not supplied

Integrated Control Design for A Partially Turboelectric Aircraft Propulsion System

Electrified Aircraft Propulsion (EAP) holds great potential for reducing aviation emissions and fuel burn. A variety of EAP architectures have been proposed including partially-turboelectric configurations that combine turbofan engines with motor-driven propulsors. Such architectures exhibit coupling between subsystems and thus require an integrated control solution. To address this need, this paper presents an integrated control design strategy for a commercial single-aisle partially-turboelectric aircraft concept consisting of two wing-mounted turbofan engines and an electric motor driven tailfan propulsor. Within this architecture the turbofans serve the dual purpose of generating thrust and supplying mechanical offtake power used to generate electricity for the tailfan motor. The propulsion control system is tasked with coordinating turbofan and tailfan operation under both steady-state and transient scenarios. The paper introduces a linear state-space representation of the architecture reflecting the coupling between the turbofan and tailfan subsystems along with loop transfer functions reflecting open- and closed-loop system dynamics. Also discussed is an applied strategy for scheduling the tailfan setpoint command based on the average sensed fan speed of the two turbofans. This approach ensures synchronized operation of the turbofan and tailfan subsystems while also allowing the turbofan fuel control design to be simplified. Performance of the integrated control design is assessed through a real-time hardware-in-the-loop test conducted at the NASA Electric Aircraft Testbed. During this test a scaled version of the electrical system and turbomachinery shaft dynamics were implemented in electrical machine hardware and evaluated under closed-loop control. Results from this facility test are presented to illustrate the efficacy of the applied integrated control design approach under steady-state and transient scenarios including a full-flight mission profile.

Electrified Aircraft Propulsion↗

NASA NTRS2023

Integrated Control Design for A Partially Turboelectric Aircraft Propulsion System

Electrified Aircraft Propulsion (EAP) holds great potential for reducing aviation emissions and fuel burn. A variety of EAP architectures have been proposed including partially-turboelectric configurations that combine turbofan engines with motor-driven propulsors. Such architectures exhibit coupling between subsystems and thus require an integrated control solution. To address this need, this paper presents an integrated control design strategy for a commercial single-aisle partially-turboelectric aircraft concept consisting of two wing-mounted turbofan engines and an electric motor driven tailfan propulsor. Within this architecture the turbofans serve the dual purpose of generating thrust and supplying mechanical offtake power used to generate electricity for the tailfan motor. The propulsion control system is tasked with coordinating turbofan and tailfan operation under both steady-state and transient scenarios. The paper introduces a linear state-space representation of the architecture reflecting the coupling between the turbofan and tailfan subsystems along with loop transfer functions reflecting open- and closed-loop system dynamics. Also discussed is an applied strategy for scheduling the tailfan setpoint command based on the average sensed fan speed of the two turbofans. This approach ensures synchronized operation of the turbofan and tailfan subsystems while also allowing the turbofan fuel control design to be simplified. Performance of the integrated control design is assessed through a real-time hardware-in-the-loop test conducted at the NASA Electric Aircraft Testbed. During this test a scaled version of the electrical system and turbomachinery shaft dynamics were implemented in electrical machine hardware and evaluated under closed-loop control. Results from this facility test are presented to illustrate the efficacy of the applied integrated control design approach under steady-state and transient scenarios including a full-flight mission profile.

Electrified Aircraft Propulsion↗

NASA NTRS1973

Miniaturized haploscope for testing binocular vision

Device can reproduce virtually all binocular stimulus conditions (target configuration, vergence angle, and accommodative distance) used to test binocular performance. All subsystems of electronic controls are open-loop and solid-state-controlled and, with the exception of vergence angle drive, utilize dc stepping motors as prime movers. Arrangement is also made for readouts of each variable.

Decker, T. A.↗