Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “linear projection”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on InCo3N by Materials Project

InNCo3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Co is bonded in a linear geometry to four equivalent In and two equivalent N atoms. All Co–In bond lengths are 2.72 Å. Both Co–N bond lengths are 1.93 Å. In is bonded to twelve equivalent Co atoms to form InCo12 cuboctahedra that share corners with twelve equivalent InCo12 cuboctahedra, faces with six equivalent InCo12 cuboctahedra, and faces with eight equivalent NCo6 octahedra. N is bonded to six equivalent Co atoms to form NCo6 octahedra that share corners with six equivalent NCo6 octahedra and faces with eight equivalent InCo12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on XeNO3F by Materials Project

XeNO3F crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four XeNO3F clusters. Xe is bonded in a linear geometry to one O and one F atom. The Xe–O bond length is 2.23 Å. The Xe–F bond length is 2.11 Å. N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.22–1.39 Å. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one N atom. In the second O site, O is bonded in a single-bond geometry to one N atom. In the third O site, O is bonded in a bent 120 degrees geometry to one Xe and one N atom. F is bonded in a single-bond geometry to one Xe atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3AlN by Materials Project

Pr3AlN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded in a linear geometry to four equivalent Al and two equivalent N atoms. All Pr–Al bond lengths are 3.57 Å. Both Pr–N bond lengths are 2.52 Å. Al is bonded to twelve equivalent Pr atoms to form AlPr12 cuboctahedra that share corners with twelve equivalent AlPr12 cuboctahedra, faces with six equivalent AlPr12 cuboctahedra, and faces with eight equivalent NPr6 octahedra. N is bonded to six equivalent Pr atoms to form NPr6 octahedra that share corners with six equivalent NPr6 octahedra and faces with eight equivalent AlPr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TeAsXeO2F11 by Materials Project

XeAsTeO2F11 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two XeAsTeO2F11 clusters. Xe is bonded in a linear geometry to one O and one F atom. The Xe–O bond length is 2.08 Å. The Xe–F bond length is 2.32 Å. As is bonded in an octahedral geometry to six F atoms. There are a spread of As–F bond distances ranging from 1.74–1.94 Å. Te is bonded in an octahedral geometry to two O and four F atoms. There is one shorter (1.97 Å) and one longer (2.01 Å) Te–O bond length. There is two shorter (1.87 Å) and two longer (1.89 Å) Te–F bond length. There are two inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Xe and one Te atom. In the second O site, O is bonded in a water-like geometry to one Te and one F atom. The O–F bond length is 1.44 Å. There are eleven inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one O atom. In the second F site, F is bonded in a single-bond geometry to one Te atom. In the third F site, F is bonded in a single-bond geometry to one Te atom. In the fourth F site, F is bonded in a single-bond geometry to one Te atom. In the fifth F site, F is bonded in a single-bond geometry to one Te atom. In the sixth F site, F is bonded in a single-bond geometry to one As atom. In the seventh F site, F is bonded in a single-bond geometry to one As atom. In the eighth F site, F is bonded in a single-bond geometry to one As atom. In the ninth F site, F is bonded in a single-bond geometry to one As atom. In the tenth F site, F is bonded in a single-bond geometry to one As atom. In the eleventh F site, F is bonded in a distorted bent 120 degrees geometry to one Xe and one As atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn3SnH by Materials Project

Mn3SnH is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn is bonded in a linear geometry to four equivalent Sn and two equivalent H atoms. All Mn–Sn bond lengths are 2.73 Å. Both Mn–H bond lengths are 1.93 Å. Sn is bonded to twelve equivalent Mn atoms to form SnMn12 cuboctahedra that share corners with twelve equivalent SnMn12 cuboctahedra, faces with six equivalent SnMn12 cuboctahedra, and faces with eight equivalent HMn6 octahedra. H is bonded to six equivalent Mn atoms to form HMn6 octahedra that share corners with six equivalent HMn6 octahedra and faces with eight equivalent SnMn12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce3AlO by Materials Project

Ce3AlO is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded in a linear geometry to four equivalent Al and two equivalent O atoms. All Ce–Al bond lengths are 3.41 Å. Both Ce–O bond lengths are 2.41 Å. Al is bonded to twelve equivalent Ce atoms to form AlCe12 cuboctahedra that share corners with twelve equivalent AlCe12 cuboctahedra, faces with six equivalent AlCe12 cuboctahedra, and faces with eight equivalent OCe6 octahedra. O is bonded to six equivalent Ce atoms to form OCe6 octahedra that share corners with six equivalent OCe6 octahedra and faces with eight equivalent AlCe12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La3SnN by Materials Project

La3SnN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La is bonded in a linear geometry to four equivalent Sn and two equivalent N atoms. All La–Sn bond lengths are 3.62 Å. Both La–N bond lengths are 2.56 Å. Sn is bonded to twelve equivalent La atoms to form SnLa12 cuboctahedra that share corners with twelve equivalent SnLa12 cuboctahedra, faces with six equivalent SnLa12 cuboctahedra, and faces with eight equivalent NLa6 octahedra. N is bonded to six equivalent La atoms to form NLa6 octahedra that share corners with six equivalent NLa6 octahedra and faces with eight equivalent SnLa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn3InC by Materials Project

Mn3InC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn is bonded in a linear geometry to four equivalent In and two equivalent C atoms. All Mn–In bond lengths are 2.79 Å. Both Mn–C bond lengths are 1.97 Å. In is bonded to twelve equivalent Mn atoms to form InMn12 cuboctahedra that share corners with twelve equivalent InMn12 cuboctahedra, faces with six equivalent InMn12 cuboctahedra, and faces with eight equivalent CMn6 octahedra. C is bonded to six equivalent Mn atoms to form CMn6 octahedra that share corners with six equivalent CMn6 octahedra and faces with eight equivalent InMn12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Warm Unit Stand Assembly and Testing for Proton Improvement Plan - II

The Proton Improvement Project II (PIP II), situated at Fermilab, signifies a critical advancement in the realm of high-energy physics. PIP II, a linear accelerator renovation endeavor, aspires to double the output of the existing proton beam, reinforcing Fermilab’ s position as a vanguard in this field. The proton beam's creation involves a series of high-frequency cryomodules, necessitating environmental temperature arrays of magnets and vacuum pumps henceforth described as ‘Warm Units.’ The Warm Units include design features of : 1. insertion between the cryomodules, 2. multi-stage adjustments in six degrees of freedom to ensure precise beam alignment; 3. Natural frequency modes that avoid specified ranges. In adherence to Fermilab’ s stringent safety standards, comprehensive testing procedures are slated to validate the Warm Units' capacity to simultaneously achieve local alignment adjustments while averting low-frequency oscillation less than 15 Hertz. The testing regimen will scrutinize the Warm Units' alignment adjustment capabilities and their resilience against low-frequency oscillations, with an overarching objective of satisfying the Final Design Review criteria specific to the PIP II initiative. This project works to furnish technicians responsible for the assembly of Warm Units with a comprehensive guide for successful installation, concurrently documenting any requisite design modifications essential for achieving a real-world configuration.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

ELSI — An open infrastructure for electronic structure solvers

Routine applications of electronic structure theory to molecules and periodic systems need to compute the electron density from given Hamiltonian and, in case of non-orthogonal basis sets, overlap matrices. System sizes can range from few to thousands or, in some examples, millions of atoms. Different discretization schemes (basis sets) and different system geometries (finite non-periodic vs. infinite periodic boundary conditions) yield matrices with different structures. The ELectronic Structure Infrastructure (ELSI) project provides an open-source software interface to facilitate the implementation and optimal use of high-performance solver libraries covering cubic scaling eigensolvers, linear scaling density-matrix-based algorithms, and other reduced scaling methods in between. In this paper, we present recent improvements and developments inside ELSI, mainly covering (1) new solvers connected to the interface, (2) matrix layout and communication adapted for parallel calculations of periodic and/or spin-polarized systems, (3) routines for density matrix extrapolation in geometry optimization and molecular dynamics calculations, and (4) general utilities such as parallel matrix I/O and JSON output. The ELSI interface has been integrated into four electronic structure code projects (DFTB+, DGDFT, FHI-aims, SIESTA), allowing us to rigorously benchmark the performance of the solvers on an equal footing. Based on results of a systematic set of large-scale benchmarks performed with Kohn–Sham density-functional theory and density-functional tight-binding theory, we identify factors that strongly affect the efficiency of the solvers, and propose a decision layer that assists with the solver selection process. As a result, we describe a reverse communication interface encoding matrix-free iterative solver strategies that are amenable, e.g., for use with planewave basis sets.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Materials Data on Sc3BPb by Materials Project

PbBSc3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded in a distorted linear geometry to two equivalent B and four equivalent Pb atoms. Both Sc–B bond lengths are 2.34 Å. All Sc–Pb bond lengths are 3.32 Å. B is bonded to six equivalent Sc atoms to form BSc6 octahedra that share corners with six equivalent BSc6 octahedra and faces with eight equivalent PbSc12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. Pb is bonded to twelve equivalent Sc atoms to form PbSc12 cuboctahedra that share corners with twelve equivalent PbSc12 cuboctahedra, faces with six equivalent PbSc12 cuboctahedra, and faces with eight equivalent BSc6 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc3SnB by Materials Project

SnBSc3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded in a distorted linear geometry to two equivalent B and four equivalent Sn atoms. Both Sc–B bond lengths are 2.33 Å. All Sc–Sn bond lengths are 3.29 Å. B is bonded to six equivalent Sc atoms to form BSc6 octahedra that share corners with six equivalent BSc6 octahedra and faces with eight equivalent SnSc12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. Sn is bonded to twelve equivalent Sc atoms to form SnSc12 cuboctahedra that share corners with twelve equivalent SnSc12 cuboctahedra, faces with six equivalent SnSc12 cuboctahedra, and faces with eight equivalent BSc6 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cu3N by Materials Project

Cu3N is alpha Rhenium trioxide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cu1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Cu–N bond lengths are 1.91 Å. N3- is bonded to six equivalent Cu1+ atoms to form corner-sharing NCu6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy3PbC by Materials Project

Dy3PbC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Dy is bonded in a distorted linear geometry to four equivalent Pb and two equivalent C atoms. All Dy–Pb bond lengths are 3.48 Å. Both Dy–C bond lengths are 2.46 Å. Pb is bonded to twelve equivalent Dy atoms to form PbDy12 cuboctahedra that share corners with twelve equivalent PbDy12 cuboctahedra, faces with six equivalent PbDy12 cuboctahedra, and faces with eight equivalent CDy6 octahedra. C is bonded to six equivalent Dy atoms to form CDy6 octahedra that share corners with six equivalent CDy6 octahedra and faces with eight equivalent PbDy12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SnPt3C by Materials Project

Pt3SnC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pt2- is bonded in a distorted linear geometry to four equivalent Sn2+ and two equivalent C4+ atoms. All Pt–Sn bond lengths are 3.04 Å. Both Pt–C bond lengths are 2.15 Å. Sn2+ is bonded to twelve equivalent Pt2- atoms to form SnPt12 cuboctahedra that share corners with twelve equivalent SnPt12 cuboctahedra, faces with six equivalent SnPt12 cuboctahedra, and faces with eight equivalent CPt6 octahedra. C4+ is bonded to six equivalent Pt2- atoms to form CPt6 octahedra that share corners with six equivalent CPt6 octahedra and faces with eight equivalent SnPt12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La3InB by Materials Project

La3InB is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La is bonded in a distorted linear geometry to four equivalent In and two equivalent B atoms. All La–In bond lengths are 3.77 Å. Both La–B bond lengths are 2.66 Å. In is bonded to twelve equivalent La atoms to form InLa12 cuboctahedra that share corners with twelve equivalent InLa12 cuboctahedra, faces with six equivalent InLa12 cuboctahedra, and faces with eight equivalent BLa6 octahedra. B is bonded to six equivalent La atoms to form BLa6 octahedra that share corners with six equivalent BLa6 octahedra and faces with eight equivalent InLa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y3PbC by Materials Project

Y3PbC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y is bonded in a distorted linear geometry to four equivalent Pb and two equivalent C atoms. All Y–Pb bond lengths are 3.48 Å. Both Y–C bond lengths are 2.46 Å. Pb is bonded to twelve equivalent Y atoms to form PbY12 cuboctahedra that share corners with twelve equivalent PbY12 cuboctahedra, faces with six equivalent PbY12 cuboctahedra, and faces with eight equivalent CY6 octahedra. C is bonded to six equivalent Y atoms to form CY6 octahedra that share corners with six equivalent CY6 octahedra and faces with eight equivalent PbY12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm3PbC by Materials Project

Tm3PbC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tm is bonded in a distorted linear geometry to four equivalent Pb and two equivalent C atoms. All Tm–Pb bond lengths are 3.42 Å. Both Tm–C bond lengths are 2.42 Å. Pb is bonded to twelve equivalent Tm atoms to form PbTm12 cuboctahedra that share corners with twelve equivalent PbTm12 cuboctahedra, faces with six equivalent PbTm12 cuboctahedra, and faces with eight equivalent CTm6 octahedra. C is bonded to six equivalent Tm atoms to form CTm6 octahedra that share corners with six equivalent CTm6 octahedra and faces with eight equivalent PbTm12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗