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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease

Creating small-molecule antivirals specific for severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) proteins is crucial to battle coronavirus disease 2019 (COVID-19). SARS-CoV-2 main protease (Mpro) is an established drug target for the design of protease inhibitors. We performed a structure–activity relationship (SAR) study of noncovalent compounds that bind in the enzyme’s substrate-binding subsites S1 and S2, revealing structural, electronic, and electrostatic determinants of these sites. The study was guided by the X-ray/neutron structure of Mpro complexed with Mcule-5948770040 (compound 1), in which protonation states were directly visualized. Virtual reality-assisted structure analysis and small-molecule building were employed to generate analogues of 1. In vitro enzyme inhibition assays and room-temperature X-ray structures demonstrated the effect of chemical modifications on Mpro inhibition, showing that (1) maintaining correct geometry of an inhibitor’s P1 group is essential to preserve the hydrogen bond with the protonated His163; (2) a positively charged linker is preferred; and (3) subsite S2 prefers nonbulky modestly electronegative groups.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Collaborative VR/AR Data Visualization Tool

This is the final report on Phase II SBIR for the development of a collaborative VR data visualization tool. In the 15 months of the Phase II, we have met and exceeded most objectives that we outlined for ourselves in the proposal. COVID19 has caused us to do some thing differently, but in fact the outcome is better for the development - we were meant to have traveled to institutions in the UK and EU to show the capabilities in April, but instead we have got into an iterative cycle in-house of weekly testing of the new features and functions. This is working well, so we will soon have the ability to share the application with collaborators in remote locations, without the need to travel. We are also making short videos of the features to share with those afar, again mitigating the need to travel and demonstrate in-person our new capabilities. That said, we are behind on getting input from the Beta testers, but when we do get their input it will be to test features and functions that are working, and not failing due to some glitch, which in turn will more likely lead to the acceptance of the product. One of our goals is to have a near-term commercial product, and we are tantalizingly close to it with commercial interest from LANL, Survice and other entities.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1998

Using Immersive Virtual Environments for Certification

Immersive virtual environments (VEs) technology has matured to the point where it can be utilized as a scientific and engineering problem solving tool. In particular, VEs are starting to be used to design and evaluate safety-critical systems that involve human operators, such as flight and driving simulators, complex machinery training, and emergency rescue strategies.

virtual reality software certification human-compu↗
NASA NTRS2018

Research and Development of The Immersive Simulations and Engineering Environment

March of 2018 marked the conclusion of the primary updates to the immersive Simulations and Engineering Environment (iSEE) at Kennedy Space Center (KSC). Many of the problems that had arisen during the previous semester have been addressed and rectified. These included the malfunction to one of the lab's primary routers, the inefficiency of the capture environment, and various interface issues in the analysis software, Jack. This semester was primarily research and development oriented with some focus on implementation of the new hardware and software that was received last semester. The new computers and cameras that arrived sometime during the winter were installed, and the lab received its second operation opportunity. The second operation was a major milestone for the lab, both in terms of what the abilities were and what can be learned from its use. The operation performed was a virtual simulation of a critical task that would occur, if it should be needed, in the Multi Payload Processing Facility. It was done to gather human factors data on its safety and process controls. The technicians were able to come to a number of conclusions about how to perform their task as a result of utilizing iSEE. Another key breakthrough this semester was the introduction to Jack Script, a scripting language built into our analysis software that further extend Jack capabilities. In addition to the aforementioned, many preparations were made for family day, an exposition for KSC families to come out and tour the spaceport. Due to family day being moved to the spring, the video made last fall had to be updated with recent environment changes in preparation for the Family Day demonstrations.

Motion Capture↗
NASA NTRS2020

High Fidelity Aerospace Simulations at NASA Ames SimLabs

NASA Ames SimLabs is home to unique simulation facilities capable of a wide range of aerospace systems research. This presentation will focus on the Vertical Motion Simulator with thoughts on future AR/VR applications and research.

simulation↗
NASA NTRSDate not supplied

Discovering Digital Engineering Needs Through Human-Centered Approaches

Digital engineering has the power to transform organizations in profound ways, but digitizing legacy workflows and infusing new technologies into existing practices may not yield the intended results or address the underlying problems or bottlenecks. This paper describes the human-centered approaches used to understand stakeholder challenges and identify digital engineering needs during the design-build-test portion of the systems development lifecycle. Through a series of interactive stakeholder workshops and need-finding activities, key stakeholder needs were identified to help guide the integration of digital engineering technologies. The overarching need was for downstream system development steps to be considered further upstream in the project lifecycle in a manner that allows for proactive and interactive co-constructive idea exploration, problem resolution, and requirements considerations in a collective engagement with engineers and technicians from multiple disciplines to increase efficiency and reduce risks while offering opportunities to improve the final engineered system. Supporting this need was a wide-ranging desire from stakeholders for digital and non-digital support structures for efficient rapid iteration during system development. This work yielded several improvements for system development processes and for digital engineering infusion.

Design Science↗
DOE OSTI2023

Mobile Hot Cell Digital Twin: End-of-life Management of Disused High Activity Radioactive Sources – 23598

Sealed radioactive sources are utilized for a wide range of applications across nuclear facilities, universities, hospitals, and industry. When these sources reach the end of serviceable life, they become waste. As waste, this radioactive material then goes through a process of recapture and then transfer to long term storage. With the advancement of technology in conjunction with better accessibility of technology, industries are exploring the use of digital automation to enhance productivity, efficiency, and safety while minimizing operation and maintenance costs, health and environmental risks, and uncertainty in the project life cycles. One area for exploration is the use of a digital twin to help design a robust, versatile, and safe solution for recapturing spent sources. We believe this avenue can also provide further advantages in the operations aspect of end-of-life management of spent radioactive sources by reducing the deployment time, increasing operator safety, and reducing operation & maintenance cost. We present a novel digital twin framework for end-of-life management of disused high activity radioactive sources. We have designed and developed a framework that houses a digital twin for visualizing and monitoring the recapture process to inform the engineering and design of a new Mobile Hot Cell. Furthermore, we demonstrate the feasibility of the proposed framework by providing a prototypical implementation, supporting the Mobile Hot Cell and human-machine interface's virtual replication.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2022

2022 INL Site Report

Visualization is key to the work we do at Idaho National Laboratory (INL). We support research computing, nuclear science, and educational outreach using both traditional and emerging visualization tools and technologies. In this presentation, we will introduce and summarize INL and its mission, describe some of the visualization resources INL provides, and present example applications from recent years.

97 MATHEMATICS AND COMPUTING↗