Fast Computational Kinetics Program

Batch kinetics (1-D) algorithm development, stirred reactor (O-D) algorithm development, and interactive computer programs are summarized

Interactive computer modeling of combustion chemistry and coalescence-dispersion modeling of turbulent combustion

An interactive computer code for simulation of a high-intensity turbulent combustor as a single point inhomogeneous stirred reactor was developed from an existing batch processing computer code CDPSR. The interactive CDPSR code was used as a guide for interpretation and direction of DOE-sponsored companion experiments utilizing Xenon tracer with optical laser diagnostic techniques to experimentally determine the appropriate mixing frequency, and for validation of CDPSR as a mixing-chemistry model for a laboratory jet-stirred reactor. The coalescence-dispersion model for finite rate mixing was incorporated into an existing interactive code AVCO-MARK I, to enable simulation of a combustor as a modular array of stirred flow and plug flow elements, each having a prescribed finite mixing frequency, or axial distribution of mixing frequency, as appropriate. Further increase the speed and reliability of the batch kinetics integrator code CREKID was increased by rewriting in vectorized form for execution on a vector or parallel processor, and by incorporating numerical techniques which enhance execution speed by permitting specification of a very low accuracy tolerance

An interactive computer code for calculation of gas-phase chemical equilibrium (EQLBRM)

A user friendly, menu driven, interactive computer program known as EQLBRM which calculates the adiabatic equilibrium temperature and product composition resulting from the combustion of hydrocarbon fuels with air, at specified constant pressure and enthalpy is discussed. The program is developed primarily as an instructional tool to be run on small computers to allow the user to economically and efficiency explore the effects of varying fuel type, air/fuel ratio, inlet air and/or fuel temperature, and operating pressure on the performance of continuous combustion devices such as gas turbine combustors, Stirling engine burners, and power generation furnaces

Methods for design and evaluation of integrated hardware-software systems for concurrent computation

Research activities and publications are briefly summarized. The major tasks reviewed are: (1) VAX implementation of the PISCES parallel programming environment; (2) Apollo workstation network implementation of the PISCES environment; (3) FLEX implementation of the PISCES environment; (4) sparse matrix iterative solver in PSICES Fortran; (5) image processing application of PISCES; and (6) a formal model of concurrent computation being developed

PISCES: An environment for parallel scientific computation

The parallel implementation of scientific computing environment (PISCES) is a project to provide high-level programming environments for parallel MIMD computers. Pisces 1, the first of these environments, is a FORTRAN 77 based environment which runs under the UNIX operating system. The Pisces 1 user programs in Pisces FORTRAN, an extension of FORTRAN 77 for parallel processing. The major emphasis in the Pisces 1 design is in providing a carefully specified virtual machine that defines the run-time environment within which Pisces FORTRAN programs are executed. Each implementation then provides the same virtual machine, regardless of differences in the underlying architecture. The design is intended to be portable to a variety of architectures. Currently Pisces 1 is implemented on a network of Apollo workstations and on a DEC VAX uniprocessor via simulation of the task level parallelism. An implementation for the Flexible Computing Corp. FLEX/32 is under construction. An introduction to the Pisces 1 virtual computer and the FORTRAN 77 extensions is presented. An example of an algorithm for the iterative solution of a system of equations is given. The most notable features of the design are the provision for several granularities of parallelism in programs and the provision of a window mechanism for distributed access to large arrays of data

Physical and numerical sources of computational inefficiency in integration of chemical kinetic rate equations: Etiology, treatment and prognosis

The design of a very fast, automatic black-box code for homogeneous, gas-phase chemical kinetics problems requires an understanding of the physical and numerical sources of computational inefficiency. Some major sources reviewed in this report are stiffness of the governing ordinary differential equations (ODE's) and its detection, choice of appropriate method (i.e., integration algorithm plus step-size control strategy), nonphysical initial conditions, and too frequent evaluation of thermochemical and kinetic properties. Specific techniques are recommended (and some advised against) for improving or overcoming the identified problem areas. It is argued that, because reactive species increase exponentially with time during induction, and all species exhibit asymptotic, exponential decay with time during equilibration, exponential-fitted integration algorithms are inherently more accurate for kinetics modeling than classical, polynomial-interpolant methods for the same computational work. But current codes using the exponential-fitted method lack the sophisticated stepsize-control logic of existing black-box ODE solver codes, such as EPISODE and LSODE. The ultimate chemical kinetics code does not exist yet, but the general characteristics of such a code are becoming apparent

Study of spread spectrum multiple access systems for satellite communications with overlay on current services

The feasibility of using spread spectrum techniques to provide a low-cost multiple access system for a very large number of low data terminals was investigated. Two applications of spread spectrum technology to very small aperture terminal (VSAT) satellite communication networks are presented. Two spread spectrum multiple access systems which use a form of noncoherent M-ary FSK (MFSK) as the primary modulation are described and the throughput analyzed. The analysis considers such factors as satellite power constraints and adjacent satellite interference. Also considered is the effect of on-board processing on the multiple access efficiency and the feasibility of overlaying low data rate spread spectrum signals on existing satellite traffic as a form of frequency reuse is investigated. The use of chirp is examined for spread spectrum communications. In a chirp communication system, each data bit is converted into one or more up or down sweeps of frequency, which spread the RF energy across a broad range of frequencies. Several different forms of chirp communication systems are considered, and a multiple-chirp coded system is proposed for overlay service. The mutual interference problem is examined in detail and a performance analysis undertaken for the case of a chirp data channel overlaid on a video channel

CREKID: A computer code for transient, gas-phase combustion of kinetics

A new algorithm was developed for fast, automatic integration of chemical kinetic rate equations describing homogeneous, gas-phase combustion at constant pressure. Particular attention is paid to the distinguishing physical and computational characteristics of the induction, heat-release and equilibration regimes. The two-part predictor-corrector algorithm, based on an exponentially-fitted trapezoidal rule, includes filtering of ill-posed initial conditions, automatic selection of Newton-Jacobi or Newton iteration for convergence to achieve maximum computational efficiency while observing a prescribed error tolerance. The new algorithm was found to compare favorably with LSODE on two representative test problems drawn from combustion kinetics

Study of spread spectrum multiple access systems for satellite communications with overlay on current services: Executive summary

Two different methods of generating spread spectrum signals for an overlay service are discussed, and the data rate and efficiency which can be achieved while maintaining low interference with existing traffic are examined

A model for the distributed storage and processing of large arrays

A conceptual model for parallel computations on large arrays is developed. The model provides a set of language concepts appropriate for processing arrays which are generally too large to fit in the primary memories of a multiprocessor system. The semantic model is used to represent arrays on a concurrent architecture in such a way that the performance realities inherent in the distributed storage and processing can be adequately represented. An implementation of the large array concept as an Ada package is also described