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At least 793 records · Page 44

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↗

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↗

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↗

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↗

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↗

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↗

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↗

Spacecraft platform cost estimating relationships

The three main cost areas of unmanned satellite development are discussed. The areas are identified as: (1) the spacecraft platform (SCP), (2) the payload or experiments, and (3) the postlaunch ground equipment and operations. The SCP normally accounts for over half of the total project cost and accurate estimates of SCP costs are required early in project planning as a basis for determining total project budget requirements. The development of single formula SCP cost estimating relationships (CER) from readily available data by statistical linear regression analysis is described. The advantages of single formula CER are presented.

Gruhl, W. M.↗

Semi-interpenetrating networks of LARC-TPI

In a previous research project at NASA-Langley, a novel semi-2-interpenetrating polymer network (semi-2-IPN) was prepared from the linear, thermoplastic polyimidesulfone, and the more brittle, crosslinked, acetylene-terminated imidesulfone. Synergistic qualities such as improved thermooxidative stability and better processability were achieved from this combination. The novelty of the system lay in the fact that the structures of the linear and crosslinking components were nearly identical. This similarity in structure eliminates any phase separation problems common to many-IPNs. In a similar way, a semi-2-IPN was prepared from linear, thermoplastic LARC-TPI and acetylene-terminated LARC-TPI (ATLARC-TPI). The preparation and characterization of this system will be discussed as well as adhesive and composite data.

Egli, Annemarie H.↗

Overview of the NASA Lewis component technology program for Stirling power converters

This paper presents an update on the NASA Lewis Stirling component technology program. The component technology program has been organized as part of the NASA Lewis effort to develop Stirling converter technology for space power applications. The Stirling space power program is part of the High Capacity Power element of the NASA Civil Space Technology Initiative. Lewis is also providing technical management of a DOE-funded project to develop Stirling converter systems for distributed dish solar terrestrial power applications. The Lewis component technology program is coordinated with the primary contract efforts of these projects but is aimed at longer term issues, advanced technologies, and independent assessments. Topics to be discussed include bearings, linear alternators, controls and load interaction, materials/life assessment, and heat exchangers.

Thieme, Lanny G.↗

Design and construction of a tensile tester for the testing of simple composites

The following is a design for a tensile tester which will be used to test the tensile strength and anisotropic properties of simple composites. These simple composites are suspected to be anisotropic primarily in a single plane. When the composites undergo a tensile force, they will undergo deformation, causing movement either to the left or right. The composites are suspect due to their method of construction. Each sample has a single layer of unidirectional continuous fibers embedded in a rubbery resin. It has been well established that a serious limitation of unidirectional fiber composites is the very large in-plane anisotropy. The design presented here incorporates a single degree of freedom such that distortion (to the left or right) due to anisotropic tendencies may be measured. The device will spend the vast majority of its time in an undergraduate materials lab. As a result, ease of use and durability are valued more highly than research grade accuracy. Additional concerns focus on the fact that this machine will be built as a student project. Issues which are dealt with during this design include: specimen configuration or shape; a method of applying consistent, linear tension force; a method of gripping specimen without affecting its overall properties; a method of collecting data; repeatability of data; ease of use; ease of construction; and cost. After the device has been constructed, it will be used to test the simple composites which were fabricated in house. A comparison will be made between composites manufactured using aluminum screening as the strengthening fibers and those manufactured using fiberglass screening.

Borst, Mark A.↗

Ordering Unstructured Meshes for Sparse Matrix Computations on Leading Parallel Systems

The ability of computers to solve hitherto intractable problems and simulate complex processes using mathematical models makes them an indispensable part of modern science and engineering. Computer simulations of large-scale realistic applications usually require solving a set of non-linear partial differential equations (PDES) over a finite region. For example, one thrust area in the DOE Grand Challenge projects is to design future accelerators such as the SpaHation Neutron Source (SNS). Our colleagues at SLAC need to model complex RFQ cavities with large aspect ratios. Unstructured grids are currently used to resolve the small features in a large computational domain; dynamic mesh adaptation will be added in the future for additional efficiency. The PDEs for electromagnetics are discretized by the FEM method, which leads to a generalized eigenvalue problem Kx = AMx, where K and M are the stiffness and mass matrices, and are very sparse. In a typical cavity model, the number of degrees of freedom is about one million. For such large eigenproblems, direct solution techniques quickly reach the memory limits. Instead, the most widely-used methods are Krylov subspace methods, such as Lanczos or Jacobi-Davidson. In all the Krylov-based algorithms, sparse matrix-vector multiplication (SPMV) must be performed repeatedly. Therefore, the efficiency of SPMV usually determines the eigensolver speed. SPMV is also one of the most heavily used kernels in large-scale numerical simulations.

Oliker, Leonid↗

Independent Testing of JWST Detector Prototypes

The Independent Detector Testing Laboratory (IDTL) is jointly operated by the Space Telescope Science Institute (STScI) and the Johns Hopkins University (MU), and is assisting the James Webb Space Telescope (JWST) mission in choosing and operating the best near-infrared detectors under a NASA Grant. The JWST is the centerpiece of the NASA Office of Space Science theme, the Astronomical Search for Origins, and the highest priority astronomy project for the next decade, according to the National Academy of Science. JWST will need to have the sensitivity to see the first light in the Universe to determine how galaxies formed in the web of dark matter that existed when the Universe was in its infancy (z approx. 10 - 20). To achieve this goal, the JWST Project must pursue an aggressive technology program and advance infrared detectors to performance levels beyond what is now possible. As part of this program, NASA has selected the IDTL to verify comparative performance between prototype JWST detectors developed by Rockwell Scientific (HgCdTe) and Raytheon (InSb). The IDTL is charged with obtaining an independent assessment of the ability of these two competing technologies to achieve the demanding specifications of the JWST program within the 0.6 - 5 approx. mum bandpass and in an ultra-low background (less than 0.01 e'/s/pixel) environment. We describe results from the JWST Detector Characterization Project that is being performed in the IDTL. In this project, we are measuring first-order detector parameters, i.e. dark current, read noise, QE, intra-pixel sensitivity, linearity, as functions of temperature, well size, and operational mode.

Figer, D. F.↗

Independent Testing of JWST Detector Prototypes

The Independent Detector Testing Laboratory (IDTL) is jointly operated by the Space Telescope Science Institute (STScI) and the Johns Hopkins University (JHU), and is assisting the James Webb Space Telescope (JWST) mission in choosing and operating the best near-infrared detectors. The JWST is the centerpiece of the NASA Office of Space Science theme, the Astronomical Search for Origins, and the highest priority astronomy project for the next decade, according to the National Academy of Science. JWST will need to have the sensitivity to see the first light in the Universe to determine how galaxies formed in the web of dark matter that existed when the Universe was in its infancy (z is approximately 10-20). To achieve this goal, the JWST Project must pursue an aggressive technology program and advance infrared detectors to performance levels beyond what is now possible. As part of this program, NASA has selected the IDTL to verify comparative performance between prototype JWST detectors developed by Rockwell Scientific (HgCdTe) and Raytheon (InSb). The IDTL is charged with obtaining an independent assessment of the ability of these two competing technologies to achieve the demanding specifications of the JWST program within the 0.6-5 micron bandpass and in an ultra-low background (less than 0.01 e(-)/s/pixel) environment. We describe results from the JWST Detector Characterization Project that is being performed in the LDTL. In this project, we are measuring first-order detector parameters, i.e. dark current, read noise, QE, intra-pixel sensitivity, linearity, as functions of temperature, well size, and operational mode.

Figer, Donald F.↗

Exposure to a Rotating Virtual Environment During Treadmill Locomotion Causes Adaptation in Heading Direction

The goal of the present study was to investigate the adaptive effects of variation in the direction of optic flow, experienced during linear treadmill walking, on modifying locomotor trajectory. Subjects (n = 30) walked on a motorized linear treadmill at 4.0 kilometers per hour for 24 minutes while viewing the interior of a 3D virtual scene projected onto a screen 1.5 in in front of them. The virtual scene depicted constant self-motion equivalent to either 1) walking around the perimeter of a room to one s left (Rotating Room group) 2) walking down the center of a hallway (Infinite Hallway group). The scene was static for the first 4 minutes, and then constant rate self-motion was simulated for the remaining 20 minutes. Before and after the treadmill locomotion adaptation period, subjects performed five stepping trials where in each trial they marched in place to the beat of a metronome at 90 steps/min while blindfolded in a quiet room. The subject's final heading direction (deg), final X (for-aft, cm) and final Y (medio-lateral, cm) positions were measured for each trial. During the treadmill locomotion adaptation period subject's 3D torso position was measured. We found that subjects in the Rotating Room group as compared to the Infinite Hallway group: 1) showed significantly greater deviation during post exposure testing in the heading direction and Y position opposite to the direction of optic flow experienced during treadmill walking 2) showed a significant monotonically increasing torso yaw angular rotation bias in the direction of optic flow during the treadmill adaptation exposure period. Subjects in both groups showed greater forward translation (in the +X direction) during the post treadmill stepping task that differed significantly from their pre exposure performance. Subjects in both groups reported no perceptual deviation in position during the stepping tasks. We infer that viewing simulated rotary self-motion during treadmill locomotion causes adaptive modification of sensory-motor integration in the control of position and trajectory during locomotion which functionally reflects adaptive changes in the integration of visual, vestibular, and proprioceptive cues. Such an adaptation in the control of position and heading direction during locomotion due to the congruence of sensory information demonstrates the potential for adaptive transfer between sensorimotor systems and suggests a common neural site for the processing and self-motion perception and concurrent adaptation in motor output. This will result in lack of subjects perception of deviation of position and trajectory during the post treadmill step test while blind folded.

Ruttley, T↗

Spacecraft Modeling, Attitude Determination, and Control: Quaternion-Based Approach

Spacecraft attitude determination and control is an important part of a spacecraft to achieve its designed mission. As of today, many spacecrafts have been successfully launched, and most of them have performed well as they were designed. Many research papers have been published to address the attitude determination and control design problems. Several text books are available for students to learn the technology and for engineers to use as references. The most popular spacecraft models for attitude determination algorithms and control design methods are the Euler angle models and the quaternion models . The Euler angle models have been proved very efficient as the linearized models are controllable, and all standard linear control system design methods are directly applicable. The drawbacks related to the Euler angle methods are (a) the designs based on linearized models may not globally stabilize the original nonlinear spacecraft, i.e., the design may not work when the attitude of the spacecraft is far away from the point where the linearization is performed; (b) the models depend on the rotational sequences, this can be error prone if several teams work on the same project and they use different rotational sequences; (c) for any rotational sequence, there is a singular point where the model is not applicable; and (d) since most attitude determination methods use quaternion to represent the spacecraft attitude, there is a need to transform quaternion into Euler angles. On the other hand, for quaternion models, people have found controllers that can globally stabilize nonlinear spacecraft systems; the models do not depend on rotational sequences and they have no singular point; and the quaternion is provided by attitude determination system and ready to use. The main problem with the quaternion model based control system design is that the linearized quaternion model is not controllable. Therefore, most published design methods heavily rely on Lyapunov functions for the nonlinear spacecraft system. But there is no systematic way to obtain a desired Lyapunov functions. Moreover, the Lyapunov function based designs focus on the closed-loop system stability but pay little attention to the closed-loop system performance. In a series of papers, the author proposed some reduced quaternion models which lead to some controllable linearized spacecraft models. Therefore, all standard linear system theory can be directly applied to analyze and design the spacecraft control systems. We showed that, in some cases, the designed control system is not only optimal for the linearized system, but also globally stabilize the original nonlinear system . Clearly, the reduced quaternion models do not depend on rotational sequences. Due to the special structure of the linearized spacecraft model, some most important design methods, such as LQR design and robust pole assignment design are very simple, enjoy the analytical solutions for some problems, have direct connection to the performance measures, such as settling time, rising time , and percentage of overshoot . All these features are attractive for high quality control system designs. The idea mentioned above is then extended to more spacecraft control problems using specific actuators such as magnetic torque bars and control momentum gyroscopes. These types of actuators may not provide exactly desired torques. Most existing methods use different conversions to get approximate solutions, meaning that these actuators may generate a torque close to but not equal to the desired one. Using the reduced quaternion models that incorporate the actuators into the system model, the control inputs are not torques but the operational parameters. The main benefit of this idea is that the control actions are not approximate but accurate. As all actuators have their operational limit, design with input constraints are also considered in this book by using recently developed interior-point optimization techniques. This book grows up from my research on the spacecraft attitude determination and control design methods in more than a decade which is focused on using reduced quaternion models because of their merits stated above. The book provides all necessary background materials on orbital dynamics, rotations and quaternion, frequently used reference frames, transformations between reference frames, space environment and disturbance torques, ephemeris astronomical vector calculations and measurement instruments, spacecraft control actuators and their models, so that the readers will get a global picture and can apply all these information into the spacecraft system modeling, attitude determination, and spacecraft control system designs, which is the main purpose of this book. This book is different from existing books in that we focus on quaternion based spacecraft control system designs and we consider only attitude control system design related problems, from spacecraft modeling, to attitude determination and estimation, to control system design method selection, to control algorithm development, and to the simulation of the control system designs. Moreover, this book addresses different attitude control tasks in the spacecraft life cycle, including spacecraft maneuver, orbit raising, attitude control, and rendezvous. Finally, this book emphasizes the state space design methods rather than the classical frequency design methods.

Attitude determination and control↗

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↗

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↗