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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
NASA NTRS1991

SSSFD manipulator engineering using statistical experiment design techniques

The Satellite Servicer System Flight Demonstration (SSSFD) program is a series of Shuttle flights designed to verify major on-orbit satellite servicing capabilities, such as rendezvous and docking of free flyers, Orbital Replacement Unit (ORU) exchange, and fluid transfer. A major part of this system is the manipulator system that will perform the ORU exchange. The manipulator must possess adequate toolplate dexterity to maneuver a variety of EVA-type tools into position to interface with ORU fasteners, connectors, latches, and handles on the satellite, and to move workpieces and ORUs through 6 degree of freedom (dof) space from the Target Vehicle (TV) to the Support Module (SM) and back. Two cost efficient tools were combined to perform a study of robot manipulator design parameters. These tools are graphical computer simulations and Taguchi Design of Experiment methods. Using a graphics platform, an off-the-shelf robot simulation software package, and an experiment designed with Taguchi's approach, the sensitivities of various manipulator kinematic design parameters to performance characteristics are determined with minimal cost.

Barnes, John↗
NASA NTRS1987

Interdisciplinary analysis procedures in the modeling and control of large space-based structures

The paper describes a computer software system called the Integrated Multidisciplinary Analysis Tool, IMAT, that has been developed at NASA Langley Research Center. IMAT provides researchers and analysts with an efficient capability to analyze satellite control systems influenced by structural dynamics. Using a menu-driven interactive executive program, IMAT links a relational database to commercial structural and controls analysis codes. The paper describes the procedures followed to analyze a complex satellite structure and control system. The codes used to accomplish the analysis are described, and an example is provided of an application of IMAT to the analysis of a reference space station subject to a rectangular pulse loading at its docking port.

Cooper, Paul A.↗
NASA NTRS2009

Apollo Guidance, Navigation, and Control (GNC) Hardware Overview

This viewgraph presentation reviews basic guidance, navigation and control (GNC) concepts, examines the Command and Service Module (CSM) and Lunar Module (LM) GNC organization and discusses the primary GNC and the CSM Stabilization and Control System (SCS), as well as other CSM-specific hardware. The LM Abort Guidance System (AGS), Control Electronics System (CES) and other LM-specific hardware are also addressed. Three subsystems exist on each vehicle: the computer subsystem (CSS), the inertial subsystem (ISS) and the optical subsystem (OSS). The CSS and ISS are almost identical between CSM and LM and each is designed to operate independently. CSM SCS hardware are highlighted, including translation control, rotation controls, gyro assemblies, a gyro display coupler and flight director attitude indicators. The LM AGS hardware are also highlighted and include the abort electronics assembly and the abort sensor assembly; while the LM CES hardware includes the attitude controller assembly, thrust/translation controller assemblies and the ascent engine arming assemble. Other common hardware including the Orbital Rate Display - Earth and Lunar (ORDEAL) and the Crewman Optical Alignment Sight (COAS), a docking aid, are also highlighted.

Interbartolo, Michael↗
NASA NTRS2010

A Comparison Between Orion Automated and Space Shuttle Rendezvous Techniques

The Orion spacecraft will replace the space shuttle and will be the first human spacecraft since the Apollo program to leave low earth orbit. This vehicle will serve as the cornerstone of a complete space transportation system with a myriad of mission requirements necessitating rendezvous to multiple vehicles in earth orbit, around the moon and eventually beyond . These goals will require a complex and robust vehicle that is, significantly different from both the space shuttle and the command module of the Apollo program. Historically, orbit operations have been accomplished with heavy reliance on ground support and manual crew reconfiguration and monitoring. One major difference with Orion is that automation will be incorporated as a key element of the man-vehicle system. The automated system will consist of software devoted to transitioning between events based on a master timeline. This effectively adds a layer of high level sequencing that moves control of the vehicle from one phase to the next. This type of automated control is not entirely new to spacecraft since the shuttle uses a version of this during ascent and entry operations. During shuttle orbit operations however many of the software modes and hardware switches must be manually configured through the use of printed procedures and instructions voiced from the ground. The goal of the automation scheme on Orion is to extend high level automation to all flight phases. The move towards automation represents a large shift from current space shuttle operations, and so these new systems will be adopted gradually via various safeguards. These include features such as authority-to-proceed, manual down modes, and functional inhibits. This paper describes the contrast between the manual and ground approach of the space shuttle and the proposed automation of the Orion vehicle. I will introduce typical orbit operations that are common to all rendezvous missions and go on to describe the current Orion automation architecture and contrast it with shuttle rendezvous techniques and circumstances. The shuttle rendezvous profile is timed to take approximately 3 days from orbit insertion to docking at the International Space Station (ISS). This process can be divided into 3 phases: far-field, mid-field and proximity operations. The far-field stage is characterized as the most quiescent phase. The spacecraft is usually too far to navigate using relative sensors and uses the Inertial Measurement Units (IMU s) to numerically solve for its position. The maneuvers are infrequent, roughly twice per day, and are larger than other burns in the profile. The shuttle uses this opportunity to take extensive ground based radar updates and keep high fidelity orbit states on the ground. This state is then periodically uplinked to the shuttle computers. The targeting solutions for burn maneuvers are also computed on the ground and uplinked. During the burn the crew is responsible for setting the shuttle attitude and configuring the propulsion system for ignition. Again this entire process is manually driven by both crew and ground activity. The only automatic processes that occur are associated with the real-time execution of the burn. The Orion automated functionality will seek to relieve the workload of both the crew and ground during this phase

Ruiz, Jose O,↗
DOE OSTI2023

Design of Diverse Asymmetric Pockets in De Novo Homo-oligomeric Proteins

A challenge for design of protein–small-molecule recognition is that incorporation of cavities with size, shape, and composition suitable for specific recognition can considerably destabilize protein monomers. This challenge can be overcome through binding pockets formed at homo-oligomeric interfaces between folded monomers. Interfaces surrounding the central homo-oligomer symmetry axes necessarily have the same symmetry and so may not be well suited to binding asymmetric molecules. To enable general recognition of arbitrary asymmetric substrates and small molecules, we developed an approach to designing asymmetric interfaces at off-axis sites on homo-oligomers, analogous to those found in native homo-oligomeric proteins such as glutamine synthetase. We symmetrically dock curved helical repeat proteins such that they form pockets at the asymmetric interface of the oligomer with sizes ranging from several angstroms, appropriate for binding a single ion, to up to more than 20 Å across. Of the 133 proteins tested, 84 had soluble expression in E. coli, 47 had correct oligomeric states in solution, 35 had small-angle X-ray scattering (SAXS) data largely consistent with design models, and 8 had negative-stain electron microscopy (nsEM) 2D class averages showing the structures coming together as designed. Both an X-ray crystal structure and a cryogenic electron microscopy (cryoEM) structure are close to the computational design models. The nature of these proteins as homo-oligomers allows them to be readily built into higher-order structures such as nanocages, and the asymmetric pockets of these structures open rich possibilities for small-molecule binder design free from the constraints associated with monomer destabilization.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Computational studies reveal Fluorine based quinolines to be potent inhibitors for proteins involved in SARS-CoV-2 assembly

World is witnessing one of the worst pandemics of this century caused by SARS-CoV-2 virus which has affected millions of individuals. Despite rapid efforts to develop vaccines and drugs for COVID-19, the disease is still not under control. Chloroquine (CQ) and Hydroxychloroquine (HCQ) are two very promising inhibitors which have shown positive effect in combating the disease in preliminary experimental studies, but their use was reduced due to severe side-effects. Here, we performed a theoretical investigation of the same by studying the binding of the molecules with SARS-COV-2 Spike protein, the complex formed by Spike and ACE2 human receptor and a human serine protease TMPRSS2 which aids in cleavage of the Spike protein to initiate the viral activation in the body. Both the molecules had shown very good docking energies in the range of -6kcal/mol. Subsequently, we did a high throughput screening for other potential quinoline candidates which could be used as inhibitors. From the large pool of ligand candidates, we shortlisted the top three ligands (binding energy -8kcal/mol). We tested the stability of the docked complexes by running Molecular Dynamics (MD) simulations where we observed the stability of the quinoline analogues with the Spike-ACE2 and TMPRSS2 nevertheless the quinolines were not stable with the Spike protein alone. Thus, although the inhibitors bond very well with the protein molecules their intrinsic binding affinity depends on the protein dynamics. Moreover, the quinolines were stable when bound to electronegative pockets of Spike-ACE2 or TMPRSS2 but not with Viral Spike protein. We also observed that a Fluoride based compound: 3-[3-(Trifluoromethyl)phenyl]quinoline helps the inhibitor to bind with both Spike-ACE2 and TMPRSS2 with equal probability. The molecular details presented in this study would be very useful for developing quinoline based drugs for COVID-19 treatment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1991

Virtual reality at work

The utility of virtual reality computer graphics in telepresence applications is not hard to grasp and promises to be great. When the virtual world is entirely synthetic, as opposed to real but remote, the utility is harder to establish. Vehicle simulators for aircraft, vessels, and motor vehicles are proving their worth every day. Entertainment applications such as Disney World's StarTours are technologically elegant, good fun, and economically viable. Nevertheless, some of us have no real desire to spend our lifework serving the entertainment craze of our sick culture; we want to see this exciting technology put to work in medicine and science. The topics covered include the following: testing a force display for scientific visualization -- molecular docking; and testing a head-mounted display for scientific and medical visualization.

Brooks, Frederick P., Jr.↗
NASA NTRS1986

Rendezvous and docking tracker

A conceptual solid-state rendezvous and docking tracker (RDT) has been devised for generating range and attitude data for a docking vehicle relative to a target vehicle. Emphasis is placed on the approach of the Orbiter to a link with the Space Station. Three laser illuminators ring the optical axis of the lens a directed toward retroreflectors on the target vehicle. Each retroreflector is equipped with a bandpass filter for a designated illumination frequency. Data are collected sequentially over a 20 deg field of view as the range closes to 100-1000 m. A fourth ranging retroreflector 0.3 m from center is employed during close-in maneuvers. The system provides tracking data on motions with 6 deg of freedom, and furnishes 500 msec updates (to be enhanced to 100 msec) to the operator at a computer console.

Ray, Art J.↗
NASA NTRS1994

Free-floating dual-arm robots for space assembly

Freely moving systems in space conserve linear and angular momentum. As moving systems collide, the velocities get altered due to transfer of momentum. The development of strategies for assembly in a free-floating work environment requires a good understanding of primitives such as self motion of the robot, propulsion of the robot due to onboard thrusters, docking of the robot, retrieval of an object from a collection of objects, and release of an object in an object pool. The analytics of such assemblies involve not only kinematics and rigid body dynamics but also collision and impact dynamics of multibody systems. In an effort to understand such assemblies in zero gravity space environment, we are currently developing at Ohio University a free-floating assembly facility with a dual-arm planar robot equipped with thrusters, a free-floating material table, and a free-floating assembly table. The objective is to pick up workpieces from the material table and combine them into prespecified assemblies. This paper presents analytical models of assembly primitives and strategies for overall assembly. A computer simulation of an assembly is developed using the analytical models. The experiment facility will be used to verify the theoretical predictions.

Agrawal, Sunil Kumar↗
DOE OSTI2023

Structural Characterization of TRAF6 N-Terminal for Therapeutic Uses and Computational Studies on New Derivatives

Tumor necrosis factor receptor-associated factors (TRAFs) are a protein family with a wide variety of roles and binding partners. Among them, TRAF6, a ubiquitin ligase, possesses unique receptor binding specificity and shows diverse functions in immune system regulation, cellular signaling, central nervous system, and tumor formation. TRAF6 consists of an N-terminal Really Interesting New Gene (RING) domain, multiple zinc fingers, and a C-terminal TRAF domain. TRAF6 is an important therapeutic target for various disorders and structural studies of this protein are crucial for the development of next-generation therapeutics. Here, we presented a TRAF6 N-terminal structure determined at the Turkish light source “Turkish DeLight” to be 3.2 Å resolution at cryogenic temperature (PDB ID: 8HZ2). This structure offers insight into the domain organization and zinc-binding, which are critical for protein function. Since the RING domain and the zinc fingers are key targets for TRAF6 therapeutics, structural insights are crucial for future research. Separately, we rationally designed numerous new compounds and performed molecular docking studies using this template (PDB ID:8HZ2). According to the results, 10 new compounds formed key interactions with essential residues and zinc ion in the N-terminal region of TRAF6. Molecular dynamic (MD) simulations were performed for 300 ns to evaluate the stability of three docked complexes (compounds 256, 322, and 489). Compounds 256 and 489 was found to possess favorable bindings with TRAF6. These new compounds also showed moderate to good pharmacokinetic profiles, making them potential future drug candidates as TRAF6 inhibitors.

60 APPLIED LIFE SCIENCES↗
NASA NTRS2003

Video Guidance Sensor System with Laser Rangefinder

A video guidance sensor system for use in automated docking of a chase vehicle with a target vehicle wherein the chase. vehicle includes a laser rangefinder that uses pulse or phase time of flight measurement to measure distance. The laser rangefinder includes a diode laser pulse or phase driver that produces an output signal to a timing element and simultaneously operates a laser diode. The laser diode produces an intense light beam of a predetermined wavelength which is directed to retroreflectors that are positioned on a passive target. The laser rangefinder includes an avalanche photodetector that produces a corresponding output signal when detecting light reflected from the retroreflectors. The timing element measures a time interval between the output of the laser diode and the detection of light and supplies a corresponding output signal to a computer in order to determine the range of the target vehicle relative to the chase vehicle.

Richard T Howard↗
NASA NTRS1991

Laser docking sensor engineering model

NASA JSC has been involved in the development of Laser sensors for the past ten years in order to support future rendezvous and docking missions, both manned and unmanned. Although many candidate technologies have been breadboarded and evaluated, no sensor hardware designed specifically for rendezvous and docking applications has been demonstrated on-orbit. It has become apparent that representative sensors need to be flown and demonstrated as soon as possible, with minimal cost, to provide the capability of the technology in meeting NASA's future AR&C applications. Technology and commercial component reliability have progressed to where it is now feasible to fly hardware as a detailed test objective minimizing the overall cost and development time. This presentation will discuss the ongoing effort to convert an existing in-house developed breadboard to an engineering model configuration suitable for flight. The modifications include improving the ranger resolution and stability with an in-house design, replacing the rack mounted galvanometric scanner drivers with STD-bus cards, replacing the system controlling personal computer with a microcontroller, and repackaging the subsystems as appropriate. The sensor will use the performance parameters defined in previous JSC requirements working groups as design goals and be built to withstand the space environment where fiscally feasible. Testing of the in-house ranger design is expected to be completed in October. The results will be included in the presentation. Preliminary testing of the ranging circuitry indicates a range resolution of 4mm is possible. The sensor will be mounted in the payload bay on a shelf bracket and have command, control, and display capabilities using the payload general support computer via an RS422 data line.

Dekome, Kent↗
DOE OSTI2022

On the Rapid Calculation of Binding Affinities for Antigen and Antibody Design and Affinity Maturation Simulations

The accurate and efficient calculation of protein-protein binding affinities is an essential component in antibody and antigen design and optimization, and in computer modeling of antibody affinity maturation. Such calculations remain challenging despite advances in computer hardware and algorithms, primarily because proteins are flexible molecules, and thus, require explicit or implicit incorporation of multiple conformational states into the computational procedure. The astronomical size of the amino acid sequence space further compounds the challenge by requiring predictions to be computed within a short time so that many sequence variants can be tested. In this study, we compare three classes of methods for antibody/antigen (Ab/Ag) binding affinity calculations: (i) a method that relies on the physical separation of the Ab/Ag complex in equilibrium molecular dynamics (MD) simulations, (ii) a collection of 18 scoring functions that act on an ensemble of structures created using homology modeling software, and (iii) methods based on the molecular mechanics-generalized Born surface area (MM-GBSA) energy decomposition, in which the individual contributions of the energy terms are scaled to optimize agreement with the experiment. When applied to a set of 49 antibody mutations in two Ab/HIV gp120 complexes, all of the methods are found to have modest accuracy, with the highest Pearson correlations reaching about 0.6. In particular, the most computationally intensive method, i.e., MD simulation, did not outperform several scoring functions. The optimized energy decomposition methods provided marginally higher accuracy, but at the expense of requiring experimental data for parametrization. Within each method class, we examined the effect of the number of independent computational replicates, i.e., modeled structures or reinitialized MD simulations, on the prediction accuracy. We suggest using about ten modeled structures for scoring methods, and about five simulation replicates for MD simulations as a rule of thumb for obtaining reasonable convergence. We anticipate that our study will be a useful resource for practitioners working to incorporate binding affinity calculations within their protein design and optimization process.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1972

Digital autopilot for the SKYLAB orbital assembly.

In Project SKYLAB, the Command and Service Module which ferries astronaut crews to and from the Orbital Workshop is required to have the capability of providing attitude control for the entire Orbital Assembly during docked phases of the mission. A digital autopilot has been designed which meets this requirement. It is a direct descendant of the digital autopilot designed for and used extensively in project Apollo. There is a major difference however. For Apollo, it was reasonable to design an autopilot that treated the roll, pitch, and yaw axes independently. Because of the geometry of the Orbital Assembly, however, it is of considerable advantage to design the jet selection logic for SKYLAB such that the roll and pitch axes are treated as coupled, and also that the roll and yaw axes are treated as coupled. This paper discusses how inter-axis dependence has been incorporated in the Command and Service Module's digital autopilot while working within the limitations of the onboard computer.

Turnbull, J. F.↗
NASA NTRSDate not supplied

Spacecraft Passive Safety Assessment Using Ellipse Constraints and Relative Orbital Elements

This paper presents necessary and sufficient conditions for validating spacecraft passive safety using relative orbital elements (ROE) centered around the far-field to near-field trajectory design of a hypothetical autonomous rendezvous and docking (AR&D) mission. The specific formulation of the ROEs used in this study are of quasi-nonsingular form based on elative eccentricity/inclination vectors. Current methodologies for ensuring passive safety apply keep-out volumes (KOV) to maintain appropriate separation between the Servicer and Client. Widely used techniques to assess the integrity of the KOV involve forward propagation of the relative Cartesian state to check for a potential KOV breach. In this study, an alternative approach to the propagation-based method is proposed using ROEs due to their valuable geometric insights of spacecraft relative motion. Modeling the relative trajectory and KOV ellipsoids as ellipses into the 2-D ROE sub-space simplifies the passive safety validation to a root-finding problem within the unit disk with high computational efficiency. Other approaches to intersection detection of the KOV are also evaluated in accuracy and run-time. Furthermore, a Monte Carlo simulation was employed to compare the ROE-based and relative Cartesian approaches in terms of maneuver error.

Bruce Barbour↗
DOE OSTI2023

PTM‐Psi : A python package to facilitate the computational investigation of p ost‐ t ranslational m odification on p rotein s tructures and their i mpacts on dynamics and functions

Abstract Post‐translational modification (PTM) of a protein occurs after it has been synthesized from its genetic template, and involves chemical modifications of the protein's specific amino acid residues. Despite of the central role played by PTM in regulating molecular interactions, particularly those driven by reversible redox reactions, it remains challenging to interpret PTMs in terms of protein dynamics and function because there are numerous combinatorially enormous means for modifying amino acids in response to changes in the protein environment. In this study, we provide a workflow that allows users to interpret how perturbations caused by PTMs affect a protein's properties, dynamics, and interactions with its binding partners based on inferred or experimentally determined protein structure. This Python‐based workflow, called PTM‐Psi , integrates several established open‐source software packages, thereby enabling the user to infer protein structure from sequence, develop force fields for non‐standard amino acids using quantum mechanics, calculate free energy perturbations through molecular dynamics simulations, and score the bound complexes via docking algorithms. Using the S ‐nitrosylation of several cysteines on the GAP2 protein as an example, we demonstrated the utility of PTM‐Psi for interpreting sequence–structure–function relationships derived from thiol redox proteomics data. We demonstrate that the S ‐nitrosylated cysteine that is exposed to the solvent indirectly affects the catalytic reaction of another buried cysteine over a distance in GAP2 protein through the movement of the two ligands. Our workflow tracks the PTMs on residues that are responsive to changes in the redox environment and lays the foundation for the automation of molecular and systems biology modeling.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1991

Autonomous docking ground demonstration (category 3)

The NASA Johnson Space Center (JSC) is involved in the development of an autonomous docking ground demonstration. The demonstration combines the technologies, expertise and facilities of the JSC Tracking and Communications Division (EE), Structures and Mechanics Division (ES), and the Navigation, Guidance and Control Division (EG) and their supporting contractors. The autonomous docking ground demonstration is an evaluation of the capabilities of the laser sensor system to support the docking phase (12ft to contact) when operated in conjunction with the Guidance, Navigation and Control Software. The docking mechanism being used was developed for the Apollo Soyuz Test Program. This demonstration will be conducted using the Six-Degrees of Freedom (6-DOF) Dynamic Test System (DTS). The DTS environment simulates the Space Station Freedom as the stationary or target vehicle and the Orbiter as the active or chase vehicle. For this demonstration the laser sensor will be mounted on the target vehicle and the retroreflectors on the chase vehicle. This arrangement was used to prevent potential damage to the laser. The sensor system. GN&C and 6-DOF DTS will be operated closed-loop. Initial condition to simulate vehicle misalignments, translational and rotational, will be introduced within the constraints of the systems involved. Detailed description of each of the demonstration components (e.g., Sensor System, GN&C, 6-DOF DTS and supporting computer configuration) including their capabilities and limitations will be discussed. A demonstration architecture drawing and photographs of the test configuration will be presented.

Lamkin, Steve L.↗
DOE OSTI2023

HD-Bind: Encoding of Molecular Structure with Low Precision, Hyperdimensional Binary Representations

Publicly available collections of drug-like molecules have grown to comprise tens of billions of compounds due to advances in combinatorial chemistry. Traditional methods for identifying "hit" molecules from a large collection of potential drug-like candidates have relied on biophysical theory to compute approximations to the Gibbs free energy of the binding interaction between the drug and its protein target. These approaches have the major drawback that they require exceptional computing capabilities for even relatively small collections of molecules. Hyperdimensional Computing (HDC) is a recently-proposed learning paradigm that represents data with high-dimension binary vectors; this allows the use of low-precision binary vector arithmetic to create models of the data that can be learned without the need for the gradient-based optimization required in many conventional machine learning and deep learning methods. This algorithmic simplicity allows for acceleration in hardware that has been previously demonstrated in a range of application areas. We consider existing HDC approaches for molecular property classification and introduce two novel encodings of a commonly-used molecular representation, the extended connectivity fingerprint (ECFP). We show that HDC-based inference methods are as much as 91 times more efficient than traditional machine learning methods, and achieve an acceleration of nearly nine orders of magnitude compared to molecular docking. Our results show that HDC accelerated methods retain competitive accuracy on a number of well-studied tasks such as molecular property predictions using the MoleculeNet dataset, and bind/no-bind activity classification using the DUD-E and LIT-PCBA datasets. Our work thus motivates further investigation into molecular representation learning to develop ultraefficient pre-screening tools.

Jones, William↗