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At least 721 records · Page 40

Comparing machine learning and interpolation methods for loop-level calculations

The need to approximate functions is ubiquitous in science, either due to empirical constraints or high computational cost of accessing the function. In high-energy physics, the precise computation of the scattering cross-section of a process requires the evaluation of computationally intensive integrals. A wide variety of methods in machine learning have been used to tackle this problem, but often the motivation of using one method over another is lacking. Comparing these methods is typically highly dependent on the problem at hand, so we specify to the case where we can evaluate the function a large number of times, after which quick and accurate evaluation can take place. We consider four interpolation and three machine learning techniques and compare their performance on three toy functions, the four-point scalar Passarino-Veltman D_0 D 0 function, and the two-loop self-energy master integral M. We find that in low dimensions (d = 3), traditional interpolation techniques like the Radial Basis Function perform very well, but in higher dimensions (d=5, 6, 9) we find that multi-layer perceptrons (a.k.a neural networks) do not suffer as much from the curse of dimensionality and provide the fastest and most accurate predictions.

97 MATHEMATICS AND COMPUTING↗

Space-based solar power conversion and delivery systems study. Volume 5: Economic analysis

Space-based solar power conversion and delivery systems are studied along with a variety of economic and programmatic issues relevant to their development and deployment. The costs, uncertainties and risks associated with the current photovoltaic Satellite Solar Power System (SSPS) configuration, and issues affecting the development of an economically viable SSPS development program are addressed. In particular, the desirability of low earth orbit (LEO) and geosynchronous (GEO) test satellites is examined and critical technology areas are identified. The development of SSPS unit production (nth item), and operation and maintenance cost models suitable for incorporation into a risk assessment (Monte Carlo) model (RAM) are reported. The RAM was then used to evaluate the current SSPS configuration expected costs and cost-risk associated with this configuration. By examining differential costs and cost-risk as a function of postulated technology developments, the critical technologies, that is, those which drive costs and/or cost-risk, are identified. It is shown that the key technology area deals with productivity in space, that is, the ability to fabricate and assemble large structures in space, not, as might be expected, with some hardware component technology.

Source record↗

Practical aspects of photovoltaic technology, applications and cost (revised)

The purpose of this text is to provide the reader with the background, understanding, and computational tools needed to master the practical aspects of photovoltaic (PV) technology, application, and cost. The focus is on stand-alone, silicon solar cell, flat-plate systems in the range of 1 to 25 kWh/day output. Technology topics covered include operation and performance of each of the major system components (e.g., modules, array, battery, regulators, controls, and instrumentation), safety, installation, operation and maintenance, and electrical loads. Application experience and trends are presented. Indices of electrical service performance - reliability, availability, and voltage control - are discussed, and the known service performance of central station electric grid, diesel-generator, and PV stand-alone systems are compared. PV system sizing methods are reviewed and compared, and a procedure for rapid sizing is described and illustrated by the use of several sample cases. The rapid sizing procedure yields an array and battery size that corresponds to a minimum cost system for a given load requirement, insulation condition, and desired level of service performance. PV system capital cost and levelized energy cost are derived as functions of service performance and insulation. Estimates of future trends in PV system costs are made.

Rosenblum, L.↗

The Vibrational Frequencies of CaO2, ScO2, and TiO2: A Comparison of Theoretical Methods

The vibrational frequencies of several states of CaO2, ScO2, and TiO2 are computed at using density functional theory (DFT), the Hatree-Fock approach, second order Moller-Plesset perturbation theory (MP2), and the complete-active-space self-consistent-field theory. Three different functionals are used in the DFT calculations, including two hybrid functionals. The coupled cluster singles and doubles approach including the effect of unlinked triples, determined using perturbation theory, is applied to selected states. The Becke-Perdew 86 functional appears to be the cost effective method of choice, although even this functional does not perform well for one state of CaO2. The MP2 approach is significantly inferior to the DFT approaches.

Rosi, Marzio↗

Implicit Formulation of Muscle Dynamics in OpenSim

Astronauts lose bone and muscle mass during spaceflight. Exercise countermeasure is the primary method for counteracting bone and muscle mass loss in space. New spacecraft exercise device concepts are currently being developed for the NASAs new crew exploration vehicle. The NASA Digital Astronaut Project (DAP) uses computational modeling to help determine if the new exercise devices will be effective as countermeasures. The NASA Digital Astronaut Project is developing the ability to utilize predictive simulation to provide insight into the change in kinematics and kinetics with a change in device and gravitational environment (1-g versus 0-g). For example, in space exercise the subject's body weight is applied in addition to the loads prescribed for musculoskeletal maintenance. How and where these loads are applied obviously directly impacts bone and tissue loads. Additionally, due to space vehicle structural requirements, exercise devices are often placed on vibration isolation systems. This changes the apparent impedance or stiffness of the device as seen by the user. Data collection under these conditions is often impractical and limited. Predictive modeling provides a means to have a virtual subject to test hypotheses. Predictive simulation provides a virtual subject for which we are able to perform studies such as sensitivity to device loading and vibration isolation without the need for laboratory kinematic or kinetic test data.Direct Collocation optimization provides an efficient means to perform task based optimization and predictive modeling. It is relatively straight forward to structure a physical exercise task in a Direct Collocation mathematical formulation: perform a motion such that you start at an initial pose, achieve a given amount of deflection i.e a squat, return to the initial pose, and minimize muscle activation cost. Direct Collocation is advantageous in that it does not require numerical integration to evaluate the objective function. Instead, the system dynamics are transformed to discrete time and the optimizer is constrained such that the solution is not considered to be a valid unless the dynamic equations are satisfied at all time points. The simulation and optimization are effectively done simultaneously. Due to the implicit integration, time steps can be more coarse than in a differential equation solver. In a gait scenario this means that that the model constraints and cost function are evaluated at 100 nodes in the gait cycle versus 10,000 integration steps in a variable-step forward dynamic simulation. Furthermore, no time is wasted on accurate simulations of movements that are far from the optimum. Constrained optimization algorithms require a Jacobian matrix that contains the partial derivatives of each of the dynamic constraints with respect to of each of the state and control variables at all time points. This is a large but sparse matrix. An implicit dynamics formulation requires computation of the dynamic residuals f as a function of the states x and their derivatives, and controls u:f(x, dxdt, u) 0If the dynamics of musculoskeletal system are formulated implicitly, the Jacobian elements are often available analytically, eliminating the need for numerical differentiation; this is obviously computationally advantageous. Additionally, implicit formulation of musculoskeletal dynamics do not suffer from singularities from low mass bodies, zero muscle activation, or other stiff system or

physical exercise↗

Efficient lattice QCD computation of radiative-leptonic-decay form factors at multiple positive and negative photon virtualities

In previous work [D. Giusti, Methods for high-precision determinations of radiative-leptonic decay form factors using lattice QCD, Phys. Rev. D 107, 074507 (2023)], we showed that form factors for radiative leptonic decays of pseudoscalar mesons can be determined efficiently and with high precision from lattice QCD using the “three-dimensional (3D) method,” in which three-point functions are computed for all values of the current insertion time and the time integral is performed at the data-analysis stage. Here, we demonstrate another benefit of the 3D method: the form factors can be extracted for any number of nonzero photon virtualities from the same three-point functions at no extra cost. We present results for the $D_s → ℓνγ*$ vector form factor as a function of photon energy and photon virtuality, for both positive and negative virtuality, for a single ensemble with 340 MeV pion mass and 0.11 fm lattice spacing. In our analysis, we separately consider the two different time orderings and the different quark flavors in the electromagnetic current. We discuss in detail the behavior of the unwanted exponentials contributing to the three-point functions, as well as the choice of fit models and fit ranges used to remove them for various values of the virtuality. While positive photon virtuality is relevant for decays to multiple charged leptons, negative photon virtuality suppresses soft contributions and is of interest in QCD-factorization studies of the form factors.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

PANNA: Properties from Artificial Neural Network Architectures

We report prediction of material properties from first principles is often a computationally expensive task. Recently, artificial neural networks and other machine learning approaches have been successfully employed to obtain accurate models at a low computational cost by leveraging existing example data. Here, we present a software package “Properties from Artificial Neural Network Architectures” (PANNA) that provides a comprehensive toolkit for creating neural network models for atomistic systems following the Behler–Parrinello topology. Besides the core routines for neural network training, it includes data parser, descriptor builder for Behler–Parrinello class of symmetry functions and force-field generator suitable for integration within molecular dynamics packages. PANNA offers a variety of activation and cost functions, regularization methods, as well as the possibility of using fully-connected networks with custom size for each atomic species. PANNA benefits from the optimization and hardware-flexibility of the underlying TensorFlow engine which allows it to be used on multiple CPU/GPU/TPU systems, making it possible to develop and optimize neural network models based on large datasets.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Multiobjective optimization of hybrid regenerative life support technologies. Topic D: Technology Assessment

We developed simple mathematical models for many of the technologies constituting the water reclamation system in a space station. These models were employed for subsystem optimization and for the evaluation of the performance of individual water reclamation technologies, by quantifying their operational 'cost' as a linear function of weight, volume, and power consumption. Then we performed preliminary investigations on the performance improvements attainable by simple hybrid systems involving parallel combinations of technologies. We are developing a software tool for synthesizing a hybrid water recovery system (WRS) for long term space missions. As conceptual framework, we are employing the state space approach. Given a number of available technologies and the mission specifications, the state space approach would help design flowsheets featuring optimal process configurations, including those that feature stream connections in parallel, series, or recycles. We visualize this software tool to function as follows: given the mission duration, the crew size, water quality specifications, and the cost coefficients, the software will synthesize a water recovery system for the space station. It should require minimal user intervention. The following tasks need to be solved for achieving this goal: (1) formulate a problem statement that will be used to evaluate the advantages of a hybrid WRS over a single technology WBS; (2) model several WRS technologies that can be employed in the space station; (3) propose a recycling network design methodology (since the WRS synthesis task is a recycling network design problem, it is essential to employ a systematic method in synthesizing this network); (4) develop a software implementation for this design methodology, design a hybrid system using this software, and compare the resulting WRS with a base-case WRS; and (5) create a user-friendly interface for this software tool.

Manousiouthakis, Vasilios↗

Estimating the cost and energy demand of producing lithium manganese oxide for Li-ion batteries

Lithium Manganese Oxide (LMO) is one of the important cathode active materials used in lithium ion batteries of several electric vehicles. In this paper, the production of LMO cathode material for use in lithium-ion batteries is studied. Spreadsheet-based process models have been set up to estimate and analyze the factors affecting the cost of manufacturing, the energy demand, and the environmental impact. Two processes based on the solid-state synthesis method and a sol-gel method have been explored. Results show that the solid-state process is more cost-effective because of its lower cost of raw materials. The production cost for a solid-state process is $7 kg -1 and requires 6 kWh·kg -1 of energy. The pack level cost of electric vehicle battery using LMO as a primary active material is studied as a function of LMO production cost and other parameters. The potential for reducing the cost of automotive batteries to $100 per kWh is explored in terms of LMO price and plant production volume (economy of scale), using Argonne’s BatPaC spreadsheet tool.

25 ENERGY STORAGE↗

Modeling preparation costs for space missions by using major cost drivers

A model is suggested for making long range planning cost estimates for Deep Space Network (DSN) support of future space missions. The model is a function of major mission cost drivers, such as maintenance and operations, downlink frequency upgrade, uplink frequency upgrade, telemetry upgrade, antenna gain/noise temperature, radiometric accuracy upgrade, radio science upgrade, and very long baseline interferometry. The model is derived from actual cost data from three space missions: Voyager (Uranus), Voyager (Neptune), and Magellan. The model allows one to estimate the total cost and the cost over time of a similar future space mission. The model was back tested against the three projects and gave cost estimates that range from 17 pct. below to 19 pct. above actual mission preparation costs. The model was also compared with two other independent projects: Mariner Jupiter/Saturn (MJS later became Voyager) and Viking. The model gave total preparation cost estimates that range from 15 pct. above to 4 pct. below actual total preparation costs for MJS and Viking, respectively.

Sherif, J. S.↗

The Design-To-Cost Manifold

Design-to-cost is a popular technique for controlling costs. Although qualitative techniques exist for implementing design to cost, quantitative methods are sparse. In the launch vehicle and spacecraft engineering process, the question whether to minimize mass is usually an issue. The lack of quantification in this issue leads to arguments on both sides. This paper presents a mathematical technique which both quantifies the design-to-cost process and the mass/complexity issue. Parametric cost analysis generates and applies mathematical formulas called cost estimating relationships. In their most common forms, they are continuous and differentiable. This property permits the application of the mathematics of differentiable manifolds. Although the terminology sounds formidable, the application of the techniques requires only a knowledge of linear algebra and ordinary differential equations, common subjects in undergraduate scientific and engineering curricula. When the cost c is expressed as a differentiable function of n system metrics, setting the cost c to be a constant generates an n-1 dimensional subspace of the space of system metrics such that any set of metric values in that space satisfies the constant design-to-cost criterion. This space is a differentiable manifold upon which all mathematical properties of a differentiable manifold may be applied. One important property is that an easily implemented system of ordinary differential equations exists which permits optimization of any function of the system metrics, mass for example, over the design-to-cost manifold. A dual set of equations defines the directions of maximum and minimum cost change. A simplified approximation of the PRICE H(TM) production-production cost is used to generate this set of differential equations over [mass, complexity] space. The equations are solved in closed form to obtain the one dimensional design-to-cost trade and design-for-cost spaces. Preliminary results indicate that cost is relatively insensitive to changes in mass and that the reduction of complexity, both in the manufacturing process and of the spacecraft, is dominant in reducing cost.

Dean, Edwin B.↗

Material Architectures to Integrate Multiple Reactor Functions for Fission Batteries

It is necessary for Advanced Reactors to have highly advanced engineered material systems that can combine multiple functions to save weight and cost. Metamaterial structures can be used to achieve this function. Material properties that could feasibly be combined were identified and explored in the literature. They were then proposed for future studies gauging the effectiveness of these proposals.

36 MATERIALS SCIENCE↗

Total Cost of Vehicle Ownership - Development of Analysis Webtool and Visualization

This report has been created to give an in-depth walkthrough of the functionality of the Total Cost of Operation webtool. The webtool was created to give users the ability to calculate the total cost of owning a vehicle over from the year they bought the vehicle to the end of the vehicles lifetime. This tool was developed using a combination of front-end and back-end technologies. To create the front-end HTML, CSS, and JavaScript were utilized. On the backend PHP is used as a scripting language with a database powered by MySQL. Through a combination of these technologies, a fully featured well developed webtool was created allowing users to view a cost breakdown of vehicle ownership over the lifetime of that vehicle.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Multibody model reduction by component mode synthesis and component cost analysis

The classical assumed-modes method is widely used in modeling the dynamics of flexible multibody systems. According to the method, the elastic deformation of each component in the system is expanded in a series of spatial and temporal functions known as modes and modal coordinates, respectively. This paper focuses on the selection of component modes used in the assumed-modes expansion. A two-stage component modal reduction method is proposed combining Component Mode Synthesis (CMS) with Component Cost Analysis (CCA). First, each component model is truncated such that the contribution of the high frequency subsystem to the static response is preserved. Second, a new CMS procedure is employed to assemble the system model and CCA is used to further truncate component modes in accordance with their contribution to a quadratic cost function of the system output. The proposed method is demonstrated with a simple example of a flexible two-body system.

Spanos, J. T.↗

Improving Predictions of Spin-Crossover Complex Properties through DFT Calculations with a Local Hybrid Functional

We conducted a study on the performance of the local hybrid exchange-correlation functional PBE0r for a set of 95 experimentally-characterized iron spin crossover (SCO) complexes. The PBE0r functional is a variant of PBE0 where the exchange correction is restricted to on-site terms formulated within the basis of local orbitals. We determine the free parameters of the PBE0r functional against experimental data and other hybrid functionals. With a Hartree-Fock (HF) exchange factor of 4%, the PBE0r functional accurately reproduces the electronic and free energy trends predicted in prior DFT studies for these 95 complexes using the B3LYP functional. Larger values of HF exchange stabilize high-spin states. The PBE0r-predicted bond lengths tend to exceed the experimental bond lengths, and bond lengths are less sensitive to HF exchange. The predicted SCO transition temperatures T 1/2 from PBE0r correlate moderately with the experimental transition temperatures, showing a slight improvement compared to the previous modB3LYP-predicted T 1/2 . Furthermore, this study suggests the PBE0r functional as computationally cost-effective and offers the possibility of simulating larger complexes with accuracy comparable to other global hybrid functionals, provided the HF exchange parameter is carefully optimized.

25 ENERGY STORAGE↗

Cost - The challenge for advanced materials and structures

Information is presented on the cost of various aircraft structures, together with methods for predicting and reducing cost. The need for the development of cost models, and of a comparative cost algorithm which could function as an engineering design tool to evaluate different design concepts, is emphasized. Efforts are underway to develop cost models that establish building-block unit cell elements that represent different material forms, geometric shapes, fabrication processes, and methods of assembly, with the purpose of expressing cost per pound or labor per pound data, with physical design and manufacture variables that a designer can visualize.

Davis, John G., Jr.↗

Space station autonomy requirements

Several concepts of autonomy have emerged from space station technology and mission studies. Unifying these concepts is important to enabling the needs for and requirements of autonomous systems for a space station to be explored. One purpose of autonomy related to a space station is to offload routine, demonstrated, precisely specifiable tasks and functions from humans to machines in order to increase habitability, increase human-machine system productivity, or to decrease operational costs. Defining incremental roles, functions, and technical capabilities for autonomy leads to identification of computing systems technologies needed to enable various degrees of autonomy.

Anderson, J. L.↗

Expert system decision support for low-cost launch vehicle operations

Progress in assessing the feasibility, benefits, and risks associated with AI expert systems applied to low cost expendable launch vehicle systems is described. Part one identified potential application areas in vehicle operations and on-board functions, assessed measures of cost benefit, and identified key technologies to aid in the implementation of decision support systems in this environment. Part two of the program began the development of prototypes to demonstrate real-time vehicle checkout with controller and diagnostic/analysis intelligent systems and to gather true measures of cost savings vs. conventional software, verification and validation requirements, and maintainability improvement. The main objective of the expert advanced development projects was to provide a robust intelligent system for control/analysis that must be performed within a specified real-time window in order to meet the demands of the given application. The efforts to develop the two prototypes are described. Prime emphasis was on a controller expert system to show real-time performance in a cryogenic propellant loading application and safety validation implementation of this system experimentally, using commercial-off-the-shelf software tools and object oriented programming techniques. This smart ground support equipment prototype is based in C with imbedded expert system rules written in the CLIPS protocol. The relational database, ORACLE, provides non-real-time data support. The second demonstration develops the vehicle/ground intelligent automation concept, from phase one, to show cooperation between multiple expert systems. This automated test conductor (ATC) prototype utilizes a knowledge-bus approach for intelligent information processing by use of virtual sensors and blackboards to solve complex problems. It incorporates distributed processing of real-time data and object-oriented techniques for command, configuration control, and auto-code generation.

Szatkowski, G. P.↗