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11 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on AlAs3(SeCl)4 by Materials Project

AlAs3(SeCl)4 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight AlAs3(SeCl)4 clusters. Al3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are a spread of Al–Cl bond distances ranging from 2.15–2.19 Å. There are three inequivalent As3+ sites. In the first As3+ site, As3+ is bonded in a water-like geometry to two Se2- atoms. There are one shorter (2.34 Å) and one longer (2.56 Å) As–Se bond lengths. In the second As3+ site, As3+ is bonded in a water-like geometry to two Se2- atoms. There are one shorter (2.34 Å) and one longer (2.56 Å) As–Se bond lengths. In the third As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three Se2- atoms. There are two shorter (2.41 Å) and one longer (2.44 Å) As–Se bond lengths. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to one As3+, one Se2-, and one Cl1- atom. The Se–Se bond length is 2.34 Å. The Se–Cl bond length is 3.64 Å. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to two As3+ and one Se2- atom. In the third Se2- site, Se2- is bonded in a water-like geometry to two As3+ atoms. In the fourth Se2- site, Se2- is bonded in a distorted water-like geometry to two As3+ atoms. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ and one Se2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Re3(SeCl)7 by Materials Project

Re3(SeCl)7 crystallizes in the orthorhombic Pbcm space group. The structure is zero-dimensional and consists of four Re3(SeCl)7 clusters. there are two inequivalent Re7+ sites. In the first Re7+ site, Re7+ is bonded to five Se2- and two Cl1- atoms to form distorted face-sharing ReSe5Cl2 pentagonal bipyramids. There are a spread of Re–Se bond distances ranging from 2.49–2.62 Å. There are one shorter (2.42 Å) and one longer (2.43 Å) Re–Cl bond lengths. In the second Re7+ site, Re7+ is bonded to five Se2- and two Cl1- atoms to form distorted face-sharing ReSe5Cl2 pentagonal bipyramids. There are a spread of Re–Se bond distances ranging from 2.48–2.61 Å. There are one shorter (2.42 Å) and one longer (2.45 Å) Re–Cl bond lengths. There are five inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to two Re7+ and one Cl1- atom. The Se–Cl bond length is 2.83 Å. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to two Re7+ atoms. In the third Se2- site, Se2- is bonded in a 3-coordinate geometry to two equivalent Re7+ and one Cl1- atom. The Se–Cl bond length is 2.69 Å. In the fourth Se2- site, Se2- is bonded in a 10-coordinate geometry to two equivalent Re7+ atoms. In the fifth Se2- site, Se2- is bonded in a 8-coordinate geometry to three Re7+ atoms. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Re7+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Re7+ atom. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Re7+ atom. In the fourth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to three Se2- atoms. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Re7+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SeCl by Materials Project

SeCl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four 10025-68-0 molecules. there are two inequivalent Se sites. In the first Se site, Se is bonded in a distorted water-like geometry to one Se and one Cl atom. The Se–Se bond length is 2.24 Å. The Se–Cl bond length is 2.26 Å. In the second Se site, Se is bonded in a distorted water-like geometry to one Se and one Cl atom. The Se–Cl bond length is 2.26 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one Se atom. In the second Cl site, Cl is bonded in a single-bond geometry to one Se atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nb(SeCl)2 by Materials Project

NbSe2Cl2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one NbSe2Cl2 sheet oriented in the (0, 0, 1) direction. Nb5+ is bonded in a 8-coordinate geometry to four Se+1.50- and four Cl1- atoms. There are two shorter (2.64 Å) and two longer (2.66 Å) Nb–Se bond lengths. There are a spread of Nb–Cl bond distances ranging from 2.61–2.65 Å. There are two inequivalent Se+1.50- sites. In the first Se+1.50- site, Se+1.50- is bonded in a 9-coordinate geometry to two equivalent Nb5+ atoms. In the second Se+1.50- site, Se+1.50- is bonded in a 10-coordinate geometry to two equivalent Nb5+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted water-like geometry to two equivalent Nb5+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted water-like geometry to two equivalent Nb5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hg3(SeCl)2 by Materials Project

Hg3Se2Cl2 crystallizes in the cubic I2_13 space group. The structure is three-dimensional. Hg2+ is bonded in a see-saw-like geometry to two equivalent Se2- and two equivalent Cl1- atoms. Both Hg–Se bond lengths are 2.57 Å. Both Hg–Cl bond lengths are 2.96 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Hg2+ atoms. Cl1- is bonded in a distorted trigonal planar geometry to three equivalent Hg2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Al(SeCl)4 by Materials Project

AlCl4(Se)4 crystallizes in the orthorhombic Pca2_1 space group. The structure is zero-dimensional and consists of thirty-two selenium molecules and eight AlCl4 clusters. In each AlCl4 cluster, Al3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are a spread of Al–Cl bond distances ranging from 2.13–2.17 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaSe2NCl6 by Materials Project

(GaCl4)2N2(SeCl)4 is Iron carbide-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ammonia molecules, eight chloroselenurane molecules, and four GaCl4 clusters. In each GaCl4 cluster, Ga3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are a spread of Ga–Cl bond distances ranging from 2.19–2.24 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga3+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga3+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on FeSe2NCl6 by Materials Project

(FeCl4)2N2(SeCl)4 is Iron carbide-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ammonia molecules, eight chloroselenurane molecules, and four tetrachloroiron molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti2H2CSe4Cl16O5 by Materials Project

Ti2OCl6CO2(HSeOCl2)2(SeCl)2(Cl2)2 crystallizes in the monoclinic P2/c space group. The structure is zero-dimensional and consists of two carbon dioxide molecules, four chlorine molecules, four chloroselenurane molecules, two HSeOCl2 clusters, and two Ti2OCl6 clusters. In each HSeOCl2 cluster, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. Se3+ is bonded in a distorted L-shaped geometry to one O2- and one Cl1- atom. The Se–O bond length is 1.81 Å. The Se–Cl bond length is 2.39 Å. O2- is bonded in a distorted water-like geometry to one H1+ and one Se3+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted linear geometry to two Cl1- atoms. There are one shorter (2.08 Å) and one longer (2.92 Å) Cl–Cl bond lengths. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Se3+ and one Cl1- atom. In each Ti2OCl6 cluster, Ti4+ is bonded to one O2- and three Cl1- atoms to form corner-sharing TiCl3O tetrahedra. The Ti–O bond length is 1.79 Å. There are two shorter (2.19 Å) and one longer (2.21 Å) Ti–Cl bond lengths. O2- is bonded in a linear geometry to two equivalent Ti4+ atoms. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ti4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Ti4+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Ti4+ atom.

36 MATERIALS SCIENCE↗
NASA NTRS2020

Information Management to Mitigate Loss of Control Airline Accidents

Loss of control inflight continues to be the leading contributor to airline accidents worldwide and unreliable airspeed has been a contributing factor in many of these accidents. Airlines and the FAA developed training programs for pilot recognition of these airspeed events and many checklists have been designed to help pilots troubleshoot. In addition, new aircraft designs incorporate features to detect and respond in such situations. NASA has been using unreliable airspeed events while conducting research recommended by the Commercial Aviation Safety Team. Even after significant industry focus on unreliable airspeed, research and other evidence shows that highly skilled and trained pilots can still be confused by the condition and there is a lack of understanding of what the associated checklist(s) attempts to uncover. Common mode failures of analog sensors designed for measuring airspeed continue to confound both humans and automation when determining which indicators are correct. This paper describes failures that have occurred in the past and where/how pilots may still struggle in determining reliable airspeed when confronted with conflicting information. Two latest generation aircraft architectures will be discussed and contrasted. This information will be used to describe why more sensors used in classic control theory will not solve the problem. Technology concepts are suggested for utilizing existing synoptic pages and a new synoptic page called System Interactive Synoptic (SIS). SIS details the flow of flight critical data through the avionics system and how it is used by the automation. This new synoptic page as well as existing synoptics can be designed to be used in concert with a simplified electronic checklist (sECL) to significantly reduce the time to configure the flight deck avionics in the event of a system or sensor failure.

Etherington, Timothy J.↗
DOE OSTI2024

Summer 2024 INL Intern Poster Session Submission - Brian Schumitz

This LRS submission is my poster for the INL Intern Poster Session, Summer 2024. Abstract: The Software Engineering and Cybersecurity Lab (SECL) at Montana State University has developed PIQUE, a system for evaluating software quality. PIQUE's adaptability allows for language-specific static-analysis operations, including a model for assessing cloud microservice ecosystems. These ecosystems often rely on Docker for efficient deployment and management of containerized services. Our research focuses on evaluating the network quality within these microservice ecosystems. To automate this process, we're utilizing Snort, an open-source intrusion detection system renowned for its ability to detect and log network traffic. By leveraging Snort's customizable rules, we aim to construct comprehensive testing methods for measuring and quantifying the network quality based on traffic between Docker containers. This research aims to enhance the overall security and reliability of cloud microservice ecosystems by providing automated and robust quality evaluation mechanisms, ultimately contributing to the advancement of software engineering practices in these environments

97 MATHEMATICS AND COMPUTING↗