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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 541 records · Page 30

Local Pair Natural Orbital-Based Coupled-Cluster Theory through Full Quadruples (DLPNO–CCSDTQ)

In this work, we implement a local pair natural orbitalbased coupled-cluster method through the full treatment of quadruple excitations (CCSDTQ). The domain-based local pair natural orbital (DLPNO) approach, which has successfully been applied to lower levels of coupled-cluster theory, is utilized in our algorithm, and thus our algorithm is called DLPNO-CCSDTQ. For simplicity in the working equations and in the implementation, we t 1 -dress the twoelectron integrals as well as Fock matrix elements. Our method can recover CCSDTQ-CCSDT and CCSDTQ-CCSDT(Q) energy differences on the order of 0.01−0.05 kcal mol −1 , even at a loose quadruples natural orbital (QNO) occupation number cutoff of 3.33 × 10 −6 . To highlight the capabilities of our code and its potential future applications, we showcase computations that would be intractable with canonical CCSDTQ, such as the benzene dimer, (H 2 O) 17 , and adamantane. With sufficient computing resources, computations up to 15 heavy atoms (40 atoms overall) may be feasible for fully bonded 3D systems.

Cluster chemistry↗

The Design of a High Charge Polarized Preinjector for the Electron-Ion Collider

The design of the electron pre-injector of the Electron-Ion Collider (EIC) project to generate 4 x 7 nC bunch has been advancing to meet the requirements for injection into the Rapid Cycling Synchrotron (RCS). The major challenges are high charge transport and achieving small energy spread from 3 GHz traveling-wave plate(TWP). The designed preinjector includes the polarized electron source, bunching section, TWP Linac, zigzag phase space manipulation and spin rotator. In this report, we will discuss the RF frequency selection and the way to reduce energy spread down to 0.2% by longitudinal phase space manipulate. We will also report the results of beamline simulation using space charge code and the conceptual design of spin rotator.

Wang, E.↗

Possibilities for the evolution of the genetic code from a preceding form

Analysis of the interaction between mRNA codons and tRNA anticodons suggests a model for the evolution of the genetic code. Modification of the nucleic acid following the anticodon is at present essential in both eukaryotes and prokaryotes to ensure fidelity of translation of codons starting with A, and the amino acids which could be coded for before the evolution of the modifying enzymes can be deduced.

Jukes, T. H.↗

Coding/modulation trade-offs for Shuttle wideband data links

This paper describes various modulation and coding schemes which are potentially applicable to the Shuttle wideband data relay communications link. This link will be capable of accommodating up to 50 Mbps of scientific data and will be subject to a power constraint which forces the use of channel coding. Although convolutionally encoded coherent binary PSK is the tentative signal design choice for the wideband data relay link, FM techniques are of interest because of the associated hardware simplicity and because an FM system is already planned to be available for transmission of television via relay satellite to the ground. Binary and M-ary FSK are considered as candidate modulation techniques, and both coherent and noncoherent ground station detection schemes are examined. The potential use of convolutional coding is considered in conjunction with each of the candidate modulation techniques.

Batson, B. H.↗

Software engineering project management - A state-of-the-art report

The management of software engineering projects in the aerospace industry was investigated. The survey assessed such features as contract type, specification preparation techniques, software documentation required by customers, planning and cost-estimating, quality control, the use of advanced program practices, software tools and test procedures, the education levels of project managers, programmers and analysts, work assignment, automatic software monitoring capabilities, design and coding reviews, production times, success rates, and organizational structure of the projects.

Thayer, R. H.↗

Performance of code division multiple access systems

The performance of code division multiple-access (CDMA) systems is determined using direct sequence spectral spreading. Under relatively ideal conditions, the degradation in system performance as a function of the number of users is shown to have a threshold effect. This basic limitation in the number of users of the system is further limited if the powers are unequal. For two users, system performance as a function of their power ratio also has a threshold effect. System performance as a function of the amount of spectral spreading is determined. The performance of both coded and uncoded systems is predicted.

Weber, C. L.↗

An interactive graphics program for manipulation and display of panel method geometry

Modern aerodynamic panel methods that handle large, complex geometries have made evident the need to interactively manipulate, modify, and view such configurations. With this purpose in mind, the GEOM program was developed. It is a menu driven, interactive program that uses the Tektronix PLOT 10 graphics software to display geometry configurations which are characterized by an abutting set of networks. These networks are composed of quadrilateral panels which are described by the coordinates of their corners. GEOM is divided into fourteen executive controlled functions. These functions are used to build configurations, scale and rotate networks, transpose networks defining M and N lines, graphically display selected networks, join and split networks, create wake networks, produce symmetric images of networks, repanel and rename networks, display configuration cross sections, and output network geometry in two formats. A data base management system is used to facilitate data transfers in this program. A sample session illustrating various capabilities of the code is included as a guide to program operation.

Hall, J. F.↗

Calculation of inviscid flow over shuttle-like vehicles at high angles of attack and comparisons with experimental data

A computer code HALIS, designed to compute the three dimensional flow about shuttle like configurations at angles of attack greater than 25 deg, is described. Results from HALIS are compared where possible with an existing flow field code; such comparisons show excellent agreement. Also, HALIS results are compared with experimental pressure distributions on shuttle models over a wide range of angle of attack. These comparisons are excellent. It is demonstrated that the HALIS code can incorporate equilibrium air chemistry in flow field computations.

Weilmuenster, K. J.↗

Gain-enhanced free-electron laser with an electromagnetic pump field

The feasibility of enhancing the gain for the free electron laser (FEL) with an electromagnetic (EM) pump field has been considered. The enhancement is provided by reacceleration of the electrons in the interaction region by means of a static, axial electric field. A FEL utilizing a low energy electron beam and a wiggler magnet with a periodicity on the order of 1 cm would produce far infared (FIR) radiation with wavelengths on the order of a few hundred microns. The use of the FIR radiation as the pump field in a two-stage FEL is envisioned to obtain visible radiation with a low energy electron beam. A summary is provided regarding the theory and equations of motion for the EM-pumped FEL. The derived relations are applied to the second stage of such a two-stage FEL. The obtained equations have been incorporated into a computer code which has been used to calculate laser gain and energy conversion efficiency.

Hiddleston, H. R.↗

Development of V/STOL methodology based on a higher order panel method

The development of a computational technique to predict the complex flowfields of V/STOL aircraft was initiated in which a number of modules and a potential flow aerodynamic code were combined in a comprehensive computer program. The modules were developed in a building-block approach to assist the user in preparing the geometric input and to compute parameters needed to simulate certain flow phenomena that cannot be handled directly within a potential flow code. The PAN AIR aerodynamic code, which is higher order panel method, forms the nucleus of this program. PAN AIR's extensive capability for allowing generalized boundary conditions allows the modules to interact with the aerodynamic code through the input and output files, thereby requiring no changes to the basic code and easy replacement of updated modules.

Bhateley, I. C.↗

Conservative Grid-Interface Algorithm For Computing Flows

Best features of structured- and unstructured-grid methods combined. Gaps and overlaps between zonal grids eliminated by grid-interface algorithm, which generates single interfacial grid and corrects fluxes of flow quantities accordingly. Incorporated into two three-dimensional Navier-Stokes finite-volume codes and tested in computations of incompressible and compressible flows about simple bodies. Good numerical results obtained. General enough to be incorporated into other finite-volume codes without restrictions on complexities of shapes of bodies and zonal interfaces.

Klopfer, G. H.↗

Transient dynamics capability at Sandia National Laboratories

A brief overview of the transient dynamics capabilities at Sandia National Laboratories, with an emphasis on recent new developments and current research is presented. In addition, the Sandia National Laboratories (SNL) Engineering Analysis Code Access System (SEACAS), which is a collection of structural and thermal codes and utilities used by analysts at SNL, is described. The SEACAS system includes pre- and post-processing codes, analysis codes, database translation codes, support libraries, Unix shell scripts for execution, and an installation system. SEACAS is used at SNL on a daily basis as a production, research, and development system for the engineering analysts and code developers. Over the past year, approximately 190 days of CPU time were used by SEACAS codes on jobs running from a few seconds up to two and one-half days of CPU time. SEACAS is running on several different systems at SNL including Cray Unicos, Hewlett Packard PH-UX, Digital Equipment Ultrix, and Sun SunOS. An overview of SEACAS, including a short description of the codes in the system, are presented. Abstracts and references for the codes are listed at the end of the report.

Attaway, Steven W.↗