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At least 865 records · Page 48

Frhodo: A program for simulating chemical kinetic measurements and optimizing kinetic mechanisms

Chemical kinetic simulations are frequently used to extract kinetic and mechanistic information from experimental data by fitting simulations to the data. For simple systems of consecutive single channel reactions this is a relatively straightforward task. However, as the complexity of the system increases and particularly for systems involving competitive multi-channel reactions manually optimizing a mechanism to obtain the best fits to a range of experimental data quickly becomes a time-intensive and challenging process, especially when rate coefficients have pressure and temperature dependencies. There is considerable potential for exploiting automated optimization methods to rapidly screen reaction mechanisms and optimize the fit by adjusting rate coefficients within well-defined constraints. A new chemical kinetics simulation program, Frhodo, has been developed for this purpose. The program allows either manual simulation of individual experiments or fully automated optimization against a range of experimental data by adjusting user selected reactions within user defined constraints. Frhodo incorporates machine learning-based optimization routines that work by either minimizing standardized residuals or through Bayesian parameter estimation. Frhodo's optimization capabilities are demonstrated by reexamining two previously studied systems of relevance to combustion. Dissociation of diacetyl followed by recombination of methyl radicals is an example of a sequence of single channel, consecutive reactions. Pyrolysis of 2-methyl furan exemplifies multi-channel, unimolecular reactions that are often encountered and have temperature and pressure dependencies in the rate coefficients of the channels and branching ratios between them. For both systems the optimization routines resulted in solutions similar to the original studies. Finally, comments are made on the strengths and limitations of the approach.

0D simulation↗

Optimizing acoustical treatment

A mathematical linear programming model is presented for optimizing acoustical treatment and interior decoration of concert and other public halls. This method provides the designer with a range of acoustically correct solutions at increased economical efficiency. The mathematical model uses geometrical data about the room, recommended reverberation time values, the architect's choice of given sound absorbing structures and finishing materials. The model permits inclusion of aesthetical considerations about conditioning, proportioning, or, on the contrary, reciprocal exclusion of any classes of material and/or sound absorbing structure.

Beuran, N.↗

Software For Nearly Optimal Packing Of Cargo

PACKMAN computer program used to find nearly optimal arrangements of cargo items in storage containers, subject to such multiple packing objectives as utilization of volumes of containers, utilization of containers up to limits on weights, and other considerations. Automatic packing algorithm employed attempts to find best positioning of cargo items in container, such that volume and weight capacity of container both utilized to maximum extent possible. Written in Common LISP.

Fennel, Theron R.↗

Solution of transient optimization problems by using an algorithm based on nonlinear programming

An algorithm is presented for solution of dynamic optimization problems which are nonlinear in the state variables and linear in the control variables. It is shown that the optimal control is bang-bang. A nominal bang-bang solution is found which satisfies the system equations and constraints, and influence functions are generated which check the optimality of the solution. Nonlinear optimization (gradient search) techniques are used to find the optimal solution. The algorithm is used to find a minimum time acceleration for a turbofan engine.

Teren, F.↗

PolyCheck: Dynamic Verification of Iteration Space Transformations on Affine Programs

High-level compiler transformations, especially loop transformations, are widely recognized as critical optimizations to restructure programs to improve data locality and expose parallelism. Guaranteeing the correctness of program transformations is essential, and to date three main approaches have been developed: proof of equivalence of affine programs, matching the execution traces of programs, and checking bit-by-bit equivalence of the outputs of the programs. Each technique suffers from limitations in either the kind of transformations supported, space complexity, or the sensitivity to the testing dataset. In this paper, we take a novel approach addressing all three limitations to provide an automatic bug checker to verify any iteration reordering transformations on affine programs, including non-affine transformations, with space consumption proportional to the original program data, and robust to arbitrary datasets of a given size. We achieve this by exploiting the structure of affine program control- and data-flow to generate at compile-time lightweight checker code to be executed within the transformed program. Experimental results assess the correctness and effectiveness of our method, and its increased coverage over previous approaches.

affine programs↗

The Sizing and Optimization Language (SOL): A computer language to improve the user/optimizer interface

The nonlinear mathematical programming method (formal optimization) has had many applications in engineering design. A figure illustrates the use of optimization techniques in the design process. The design process begins with the design problem, such as the classic example of the two-bar truss designed for minimum weight as seen in the leftmost part of the figure. If formal optimization is to be applied, the design problem must be recast in the form of an optimization problem consisting of an objective function, design variables, and constraint function relations. The middle part of the figure shows the two-bar truss design posed as an optimization problem. The total truss weight is the objective function, the tube diameter and truss height are design variables, with stress and Euler buckling considered as constraint function relations. Lastly, the designer develops or obtains analysis software containing a mathematical model of the object being optimized, and then interfaces the analysis routine with existing optimization software such as CONMIN, ADS, or NPSOL. This final state of software development can be both tedious and error-prone. The Sizing and Optimization Language (SOL), a special-purpose computer language whose goal is to make the software implementation phase of optimum design easier and less error-prone, is presented.

Lucas, S. H.↗

Procedures for shape optimization of gas turbine disks

Two procedures, the feasible direction method and sequential linear programming, for shape optimization of gas turbine disks are presented. The objective of these procedures is to obtain optimal designs of turbine disks with geometric and stress constraints. The coordinates of the selected points on the disk contours are used as the design variables. Structural weight, stress and their derivatives with respect to the design variables are calculated by an efficient finite element method for design senitivity analysis. Numerical examples of the optimal designs of a disk subjected to thermo-mechanical loadings are presented to illustrate and compare the effectiveness of these two procedures.

Cheu, Tsu-Chien↗

Virtual-Voltage Partition-Based Approach to Optimal Transmission Switching

This article deals with optimal transmission switching (OTS) problems involving binary decisions about network topology and nonconvex power flow constraints. We adopt a semidefinite programming formulation for the optimal power flow (OPF) problem that, however, remains nonconvex due to the presence of discrete variables and bilinear products between the decision variables. To tackle the latter, we introduce a physically inspired, virtual-voltage approximation that leads to provable lower and upper bounds on the solution of the original problem. To deal with the exponential complexity caused by the discrete variables, we introduce a graph partition-based algorithm that breaks the problem into several parallel mixed-integer subproblems of smaller size. Simulations on the IEEE bus test cases demonstrate the high degree of accuracy and affordable computational requirements of our approach.

42 ENGINEERING↗

Generating MCNP Input Files for Unstructured Mesh Geometries

The Los Alamos National Laboratory’s (LANL) Monte Carlo N-Particle (MCNP)1 transport code version 6.3 (also known as MCNP6.3) has the capability for tracking particles on unstructured mesh (UM) geometry models embedded into constructive solid geometry (CSG) cells. This feature has been developed for performing calculations of complex geometry models because manually creating CSG models is time-consuming and error-prone as the complexities of geometries increase. A UM geometry model is a collection of finite elements representing a solid geometry. The first step of the MCNP UM calculation is using other software packages to create a finite element mesh representation of a solid 3D geometry because the MCNP code cannot be used to generate a UM model. Computer-aided design (CAD) software is typically used to create a solid geometry model, which is later imported into mesh generation software to create a UM model. Some mesh generation software packages may also be used to create solid geometries and thus CAD files are not needed. The MCNP UM feature was originally designed for models generated by the Abaqus/CAE software suite. The MCNP code version 6.0 and later can process UM models formatted as Abaqus input files. Starting with a 6.3 version, the MCNP code can process HDF5 mesh input files. We only focus on the UM models formatted as Abaqus input files in this report since currently no external software can be used to generate HDF5 mesh input files for MCNP UM calculations. The MCNP code version 6.3 can be used to convert the Abaqus mesh input files into the HDF5 mesh input files, but this option is typically used by the MCNP code development team to test the HDF5 mesh input file feature. Several software packages (such as Abaqus, Attila4MC, or Cubit) can be used to create the Abaqus input files for MCNP UM calculations. An MCNP UM calculation using an Abaqus model requires two input file types: MCNP and Abaqus input files. The Abaqus input files needed for MCNP UM calcu lations must have the correct Abaqus syntax and meet the additional requirements by the MCNP code. The MCNP code can process only Abaqus input files that make use of part and assembly definitions, where elements in each part must be grouped into one or more element sets (i.e., elset) using *Elset keyword lines with specified naming formats. The MCNP and Abaqus input files required for MCNP UM simulations must be related; pseudo-cells in an MCNP input file must be constructed from mesh model data from an Abaqus input file. For large complex UM models, it is tedious to manually create MCNP UM input files. The um pre op (unstructured mesh pre operations) program with the -m option can be used to create a skeleton MCNP input file from an Abaqus input file [6]. Since the um pre op program was written in Fortran and was not written for optimized performance, this program is a deprecated feature in the MCNP code version 6.3 and may be removed in the next release of the code. To improve calculation flow of multiphysics calculations, a Python3 code called write mcnp um input has been developed to generate an MCNP input file instead of using the um_pre_op -m option. This Python code was initially released to the public in 2020. We have updated this Python code for MCNP6.3 and it was used to generate the MCNP input files used to verify the MCNP6.3 code. The write_mcnp_um_input code is included with the MCNP6.3 code package which will be released to the public through the Radiation Safety Information Computational Center (RSICC) at Oak Ridge National Laboratory. This report is a revision of LA-UR-20-27139 report.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Space Launch System and Missions to Near Rectilinear Halo Orbits

The first major evolution of NASA’s Space Launch System (SLS) will begin its flights starting in the mid-2020’s. This new configuration, called Block 1B, replaces the Interim Cryogenic Propulsion Stage with a larger Exploration Upper Stage (EUS). The additional capability provided by the new upper stage will allow SLS to send heavier payloads into deep space. One destination of interest to the SLS program is called a Near Rectilinear Halo Orbit (NRHO). This is a type of lunar orbit with multiple advantages for deep space exploration. These benefits include Earth/lunar access, low station-keeping requirements, and high communication potential with Earth. Therefore, it is a leading candidate for the proposed Lunar Orbital Platform-Gateway (LOP-G). This paper will provide a detailed assessment of the SLS Block 1B requirements and capabilities for sending payloads to an NRHO. Analysts at Marshall Space Flight Center are producing a multi-year mission availability scan for the SLS Block 1B configuration to a predefined NRHO orbit. The analysis produces an optimized trajectory for each day of the scan window. A maximized payload and minimized propellant requirement are determined for each day. All maneuvers from launch to the end of the Trans-Lunar-Injection (TLI) are being modeled as finite burns. Injections into an NRHO are being modeled as impulsive maneuvers. The payload element is arbitrary, but includes sufficient mass to represent a large habitat or propulsion module. The resulting parameters of payload capability, delta-v requirements, and launch windows length vary over the course of the scan. Many launch days in the scan are eliminated in post-processing as they violate mission constraints such as payload mass and propellant usage to insert into an NRHO. Based off previous one-year scan results for the SLS Block 1B Design Analysis Cycle 2 (DAC-2), it is expected that there will be one to three days per week where the payload is able to insert into an NRHO within SLS constraints objectives. This scan provides results for longer than one-year, allowing analysts to better understand the launch availability and energy requirements of SLS Block 1B over time. The in-space mission design and scans utilize Copernicus, an n-body trajectory optimization tool originally developed out of the University of Texas at Austin with further development at Johnson Space Center in Houston, TX. To seed the in-space trajectory, Copernicus uses a plugin to call a database of SLS ascent trajectories optimized in the Program to Simulate Optimized Trajectories II (POST2). The ascent trajectories are developed using a framework that parametrizes payload mass and LEO inclination, and targets a 100 nmi (nautical mile) altitude circular parking orbit. Though this analysis is specific to the SLS program, it will provide a summary of mission design benefits and constraints associated with generic NRHO access, and may be applied to other programs or concepts that will utilize this orbit.

Statham, T. L.↗

Optimal placement of critical speeds in rotor-bearing systems

The design of a rotor-bearing system is an iterative process in which the parameters that influence the design are modified until the desired design objectives are achieved. Primary among the design objectives is the minimization of the response amplitude within the operating range of the rotor system. An automated design procedure for the optimal placement of the critical speeds of a rotor is presented. The desired design objective is cast as a nonlinear programming problem that minimizes an objective function subject to constraints. The optimization program interacts with an analysis program to search for the feasible optimal design.

Rajan, M.↗

Task allocation in geo-distributed cyber-physical systems - 256

This paper studies the task allocation algorithm for a distributed test facility (DTF), which aims to assemble geo-distributed cyber (software) and physical (hardware in the loop) components into a prototype cyber-physical system (CPS). This allows low cost testing on an early conceptual prototype (ECP) of the ultimate CPS (UCPS) to be developed. The DTF provides an instrumentation interface for carrying out reliability experiments remotely such as fault propagation analysis and in-situ testing of hardware and software components in a simulated environment. Unfortunately, the geo-distribution introduces an overhead that is not inherent to the UCPS, i.e. a significant time delay in communication that threatens the stability of the ECP and is not an appropriate representation of the behavior of the UCPS. This can be mitigated by implementing a task allocation algorithm to find a suitable configuration and assign the software components to appropriate computational locations, dynamically. This would allow the ECP to operate more efficiently with less probability of being unstable due to the delays introduced by geo-distribution. The task allocation algorithm proposed in this work uses a Monte Carlo approach along with Dynamic Programming to identify the optimal network configuration to keep the time delays to a minimum. (authors)

97 MATHEMATICS AND COMPUTING↗

Shuttle filter study. Volume 1: Characterization and optimization of filtration devices

A program to develop a new technology base for filtration equipment and comprehensive fluid particulate contamination management techniques was conducted. The study has application to the systems used in the space shuttle and space station projects. The scope of the program is as follows: (1) characterization and optimization of filtration devices, (2) characterization of contaminant generation and contaminant sensitivity at the component level, and (3) development of a comprehensive particulate contamination management plane for space shuttle fluid systems.

Source record↗

A DSN optimal spacecraft scheduling model

A computer model is described which uses mixed-integer linear programming to provide optimal DSN spacecraft schedules given a mission set and specified scheduling requirements. A solution technique is proposed which uses Bender's Method and a heuristic starting algorithm.

Webb, W. A.↗

Riemannian Optimization Applied to AC Optimal Power Flow: Preprint

The nonlinear, nonconvex AC optimal power flow problem is of growing importance as the nature of the power grid evolves. This problem can be difficult to solve for interior point methods. However, the advent of optimization algorithms over smooth Riemannian manifolds presents an alternative approach. The nonlinear, nonconvex constraints in the AC power flow problem form an embedded submanifold of Euclidean space. In this paper, the authors explore the performance of Riemannian optimization algorithms for the ACOPF problem where the optimization is performed directly on the AC power flow manifold. They demonstrate that these are viable computational alternatives to interior point methods. This is done by using Julia and the packages PowerModels.jl and Manopt.jl.

manifold optimization↗

Open-Loop Pitch Table Optimization for the Maximum Dynamic Pressure Orion Abort Flight Test

NASA has scheduled the retirement of the space shuttle orbiter fleet at the end of 2010. The Constellation program was created to develop the next generation of human spaceflight vehicles and launch vehicles, known as Orion and Ares respectively. The Orion vehicle is a return to the capsule configuration that was used in the Mercury, Gemini, and Apollo programs. This configuration allows for the inclusion of an abort system that safely removes the capsule from the booster in the event of a failure on launch. The Flight Test Office at NASA's Dryden Flight Research Center has been tasked with the flight testing of the abort system to ensure proper functionality and safety. The abort system will be tested in various scenarios to approximate the conditions encountered during an actual Orion launch. Every abort will have a closed-loop controller with an open-loop backup that will direct the vehicle during the abort. In order to provide the best fit for the desired total angle of attack profile with the open-loop pitch table, the table is tuned using simulated abort trajectories. A pitch table optimization program was created to tune the trajectories in an automated fashion. The program development was divided into three phases. Phase 1 used only the simulated nominal run to tune the open-loop pitch table. Phase 2 used the simulated nominal and three simulated off nominal runs to tune the open-loop pitch table. Phase 3 used the simulated nominal and sixteen simulated off nominal runs to tune the open-loop pitch table. The optimization program allowed for a quicker and more accurate fit to the desired profile as well as allowing for expanded resolution of the pitch table.

Stillwater, Ryan A.↗