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At least 379 records · Page 21

Three-dimensional unstructured grid Euler computations using a fully-implicit, upwind method

A method has been developed to solve the Euler equations on a three-dimensional unstructured grid composed of tetrahedra. The method uses an upwind flow solver with a linearized, backward-Euler time integration scheme. Each time step results in a sparse linear system of equations which is solved by an iterative, sparse matrix solver. Local-time stepping, switched evolution relaxation (SER), preconditioning and reuse of the Jacobian are employed to accelerate the convergence rate. Implicit boundary conditions were found to be extremely important for fast convergence. Numerical experiments have shown that convergence rates comparable to that of a multigrid, central-difference scheme are achievable on the same mesh. Results are presented for several grids about an ONERA M6 wing.

Whitaker, David L.↗

Constant-depth circuits for dynamic simulations of materials on quantum computers

Abstract Dynamic simulation of materials is a promising application for near-term quantum computers. Current algorithms for Hamiltonian simulation, however, produce circuits that grow in depth with increasing simulation time, limiting feasible simulations to short-time dynamics. Here, we present a method for generating circuits that are constant in depth with increasing simulation time for a specific subset of one-dimensional (1D) materials Hamiltonians, thereby enabling simulations out to arbitrarily long times. Furthermore, by removing the effective limit on the number of feasibly simulatable time-steps, the constant-depth circuits enable Trotter error to be made negligibly small by allowing simulations to be broken into arbitrarily many time-steps. For an N -spin system, the constant-depth circuit contains only $\mathcal {O}(N^{2})$ O ( N 2 ) CNOT gates. Such compact circuits enable us to successfully execute long-time dynamic simulation of ubiquitous models, such as the transverse field Ising and XY models, on current quantum hardware for systems of up to 5 qubits without the need for complex error mitigation techniques. Aside from enabling long-time dynamic simulations with minimal Trotter error for a specific subset of 1D Hamiltonians, our constant-depth circuits can advance materials simulations on quantum computers more broadly in a number of indirect ways.

Materials simulation↗

Neural-based time series forecasting of loss of coolant accidents in nuclear power plants

During the last few years, deep learning in neural networks has demonstrated impressive successes in the areas of computer vision, speech and image recognition, text generation, and many others. However, sensitive engineering areas such as nuclear engineering benefited less from these efficient techniques. In this work, deep learning expert systems are utilized to model and predict time series progression of a design-basis nuclear accident, featuring a loss of coolant accident. Two major findings are accomplished in this work. First, the ability to train expert systems with high accuracy, which could help nuclear power plant operators to figure out plant responses during the accident. Second, building fast, efficient, and accurate deep models to simulate nuclear phenomena, which could be valuable to nuclear computational science. In this work, large amount of time series data is obtained from simulation tools by simulating different conditions of the base-case/nominal accident scenario. Four critical outputs/responses are monitored during the accident (e.g. temperature, pressure, break flow rate, water level). Two approaches are adopted in this work. The first approach is to use feedforward deep neural networks (DNN) to fit all time steps and outputs in a single model. The second approach is to use long short-term memory (LSTM) to fit all time steps together for each reactor response separately. Both DNN and LSTM demonstrate very good performance in predicting the test and base-case scenarios, with accuracy as low as 92% and as high as 99%, where these test scenarios are unknown to the expert systems and are not included in the model training. In addition, both approaches demonstrate a significant reduction in computational costs, as the deep expert system is able to accurately predict the accident 100,000 times faster than the original simulation tool. Given sufficient data, the methodology adopted in this study demonstrates that DNN/LSTM expert systems can be used as a decision support system to model advanced time series phenomena within nuclear power plants with high accuracy and negligible computational costs.

42 ENGINEERING↗

The efficient numerical calculation of condensational cloud drop growth

A modified Runge-Kutta integration technique is applied to condensational cloud droplet growth calculations, using the device of limiting dr, the growth of a droplet of radius r over the time step dt to some function of the absolute value of r(eq)-r, where r(eq) denotes the equilibrium value. The use of variable time steps to obtain an efficient choice of dt is also discussed. Results using these techniques are compared with those obtained with the standard fourth-order Runge-Kutta method, showing that the modified technique reduces the requisite computer time by a factor of about one hundred.

Robinson, N. F.↗

A large deformation multiphase continuum mechanics model for shock loading of soft porous materials

A large deformation, coupled finite-element (FE) model is developed to simulate the multiphase response of soft porous materials subjected to high strain-rate loading. The approach is based on the theory of porous media (TPM) at large deformations. Simplifications to the one-dimensional regime studied in the numerical simulations follow. An overview of several different time integration schemes is presented for the purpose of solving the nonlinear dynamic coupled balance of momenta (mixture and fluid) and balance of mass of the mixture equations. Numerical examples are presented for (i) verification against closed-form analytical solutions assuming small loads, (ii) demonstrating large deformation effects at high strain-rate, and (iii) showing differences in deformations between a single-phase elastodynamics model with occluded compressible pore fluid and a multiphase poroelastodynamics model at high strain-rate. The multiphase model shows that the relative motion of the pore fluid significantly dampens the deformation response of the solid skeleton as compared to the single-phase model, and makes it possible to extract quantitative values for the stresses of the different constituents, thereby allowing one to form preliminary conclusions about the onset of damage in the solid skeleton. The novelty of the current work is developing a multiphase, large deformation, mixture theory numerical model for high strain-rate loading of soft porous materials. It was discovered that explicit, adaptive time-stepping Runge–Kutta schemes offer high accuracy at relatively low cost when compared to traditional implicit or explicit central difference time-stepping schemes for shock-like loadings. Here, shock viscosity is added to the mixture momentum balance equation to regularize the shock front, and a stabilization term is added to the mixture mass balance equation to stabilize equal order interpolation finite elements for the coupled finite element solution of multiphase materials.

Engineering↗

A collision-based hybrid method for the BGK equation

In this article, we apply the collision-based hybrid method introduced by Hauck and McClarren to the Boltzmann equation with the BGK operator and a hyperbolic scaling. An implicit treatment of the source term is used to handle stiffness associated with the BGK operator. Although it helps the numerical scheme become stable with a large time step size, it is still not obvious to achieve the desired order of accuracy due to the relationship between the size of the spatial cell and the mean free path. Without asymptotic preserving property, a very restricted grid size is required to resolve the mean free path, which is not practical. Our approaches are based on the noncollision-collision decomposition of the BGK equation. We introduce the arbitrary order of nodal discontinuous Galerkin (DG) discretization in space with a semi-implicit time-stepping method; we employ the backward Euler time integration for the uncollided equation and the 2nd order predictor-corrector scheme for the collided equation, i.e., both source terms in uncollided and collided equations are treated implicitly and only streaming term in the collided equation is solved explicitly. This improves the computational efficiency without the complexity of the numerical implementation. Numerical results are presented for various Knudsen numbers to present the effectiveness and accuracy of our hybrid method. Also, we compare the solutions of the hybrid and non-hybrid schemes.

97 MATHEMATICS AND COMPUTING↗

Exponential time differencing for the tracer equations appearing in primitive equation ocean models

The tracer equations are part of the primitive equations used in ocean modeling and describe the transport of tracers, such as temperature, salinity or chemicals, in the ocean. Depending on the number of tracers considered, several equations may be added to and coupled to the dynamics system. In many relevant situations, the time-step requirements of explicit methods imposed by the transport and mixing in the vertical direction are more restrictive than those for the horizontal, and this may cause the need to use very small time steps if a fully explicit method is employed. To overcome this issue, we propose an exponential time differencing (ETD) solver where the vertical terms (transport and diffusion) are treated with a matrix exponential, whereas the horizontal terms are dealt with in an explicit way. In this work, we investigate numerically the computational speed-ups that can be obtained over other semi-implicit methods, and we analyze the advantages of the method in the case of multiple tracers.

42 ENGINEERING↗

Analysis of composite ablators using massively parallel computation

In this work, the feasibility of using massively parallel computation to study the response of ablative materials is investigated. Explicit and implicit finite difference methods are used on a massively parallel computer, the Thinking Machines CM-5. The governing equations are a set of nonlinear partial differential equations. The governing equations are developed for three sample problems: (1) transpiration cooling, (2) ablative composite plate, and (3) restrained thermal growth testing. The transpiration cooling problem is solved using a solution scheme based solely on the explicit finite difference method. The results are compared with available analytical steady-state through-thickness temperature and pressure distributions and good agreement between the numerical and analytical solutions is found. It is also found that a solution scheme based on the explicit finite difference method has the following advantages: incorporates complex physics easily, results in a simple algorithm, and is easily parallelizable. However, a solution scheme of this kind needs very small time steps to maintain stability. A solution scheme based on the implicit finite difference method has the advantage that it does not require very small times steps to maintain stability. However, this kind of solution scheme has the disadvantages that complex physics cannot be easily incorporated into the algorithm and that the solution scheme is difficult to parallelize. A hybrid solution scheme is then developed to combine the strengths of the explicit and implicit finite difference methods and minimize their weaknesses. This is achieved by identifying the critical time scale associated with the governing equations and applying the appropriate finite difference method according to this critical time scale. The hybrid solution scheme is then applied to the ablative composite plate and restrained thermal growth problems. The gas storage term is included in the explicit pressure calculation of both problems. Results from ablative composite plate problems are compared with previous numerical results which did not include the gas storage term. It is found that the through-thickness temperature distribution is not affected much by the gas storage term. However, the through-thickness pressure and stress distributions, and the extent of chemical reactions are different from the previous numerical results. Two types of chemical reaction models are used in the restrained thermal growth testing problem: (1) pressure-independent Arrhenius type rate equations and (2) pressure-dependent Arrhenius type rate equations. The numerical results are compared to experimental results and the pressure-dependent model is able to capture the trend better than the pressure-independent one. Finally, a performance study is done on the hybrid algorithm using the ablative composite plate problem. It is found that there is a good speedup of performance on the CM-5. For 32 CPU's, the speedup of performance is 20. The efficiency of the algorithm is found to be a function of the size and execution time of a given problem and the effective parallelization of the algorithm. It also seems that there is an optimum number of CPU's to use for a given problem.

Shia, David↗

Commercialization of Distribution System Load Modeling Tool for Improved DER Interconnection Studies

Residential and commercial buildings have huge potential to contribute value to improve grid resilience by participating grid services. To reveal the significant value, it is critical to estimate the grid service capability from these buildings. Unlike the large-scale distributed energy resources such as wind and solar farms, those buildings need to participate grid services in aggregation, not by individual. Therefore, it is important to appropriately group buildings for aggregation. The load profiles in the same group will have similar characteristics at the same time step, so grid operators can send the grid service signal to the customer group with a higher chance to respond at that time step. In this paper, we develop a load profile clustering method to classify the building-level load profiles for grid service capability estimation. In our two-step clustering approach, we first calculate the total load consumption for each building, clustering the load profiles based on energy consumption level. Then, we further cluster the load profiles in each energy cluster based on the load shape. The parameter selection for each clustering step is discussed. The proposed method is applied on actual building-level load profiles, and the results have proved the effectiveness of this method.

14 SOLAR ENERGY↗

VISCEL: A general-purpose computer program for analysis of linear viscoelastic structures (user's manual), volume 1

This program, an extension of the linear equilibrium problem solver ELAS, is an updated and extended version of its earlier form (written in FORTRAN 2 for the IBM 7094 computer). A synchronized material property concept utilizing incremental time steps and the finite element matrix displacement approach has been adopted for the current analysis. A special option enables employment of constant time steps in the logarithmic scale, thereby reducing computational efforts resulting from accumulative material memory effects. A wide variety of structures with elastic or viscoelastic material properties can be analyzed by VISCEL. The program is written in FORTRAN 5 language for the Univac 1108 computer operating under the EXEC 8 system. Dynamic storage allocation is automatically effected by the program, and the user may request up to 195K core memory in a 260K Univac 1108/EXEC 8 machine. The physical program VISCEL, consisting of about 7200 instructions, has four distinct links (segments), and the compiled program occupies a maximum of about 11700 words decimal of core storage.

Gupta, K. K.↗

A split explicit reformulation of the regional numerical weather prediction model of the Japan Meteorological Agency

The split explicit integration scheme for numerical weather prediction models is employed in a version of the regional numerical weather prediction model of the Japan Meteorological Agency. The finite-difference scheme of the model is designed in the manner proposed by Okamura (1975). The horizontal advection terms in the governing equations are integrated with a time step limited by the wind speed while the terms which describe inertial-gravity oscillations are integrated in a succession of shorter time steps. The physical processes included within the model are precipitation, small-scale convection, surface exchanges of sensible and latent heat, and radiative heating and cooling. An example of a surface pressure forecast over Europe is shown for initial data observed at 0000 GMT 29 December 1979. Quantitative precipitation forecasts over Europe and North America for the 24 h period beginning at 0000 GMT 30 December 1979 are also shown. It is concluded that the model is capable of realistically depicting the evolution of synoptic-scale systems.

Duffy, D. G.↗

Fully Implicit Numerical Methods for the Baroclinic Primitive Equations

A fully implicit code was developed to solve the three-dimensional primitive equations of atmospheric flow. The scheme is second order accurate in time and fourth order accurate in the horizontal and vertical directions. Furthermore, as a result of being fully implicit, the time step is not restricted by the mesh spacing near the poles, nor by the speed of inertia-gravity waves. Rather, the time step, deltat is determined simply by the requirement that it be small enough to adequately resolve the atmospheric flow of interest. The accuracy and efficiency of current models for fine grids should be significantly improved.

Cohn, S. E.↗

An efficient algorithm for solution of the unsteady transonic small-disturbance equation

A time accurate approximate factorization (AF) algorithm is formulated for solution of the three dimensional unsteady transonic small-disturbance equation. The AF algorithm consists of a time linearization procedure coupled with a Newton iteration technique. Superior stability characteristics of the new algorithm are demonstrated through applications to steady and oscillatory flows at subsonic and supersonic freestream conditions for an F-5 fighter wing. For steady flow calculations, the size of the time step is cycled to achieve rapid convergence. For unsteady flow calculations, the AF algorithm is sufficiently robust to allow the step size to be selected based on accuracy rather than on stability considerations. Therefore, accurate solutions are obtained in only several hundred time steps yielding a significant computational cost savings when compared to alternative methods.

Batina, John T.↗

An efficient algorithm for solution of the unsteady transonic small-disturbance equation

A time accurate approximation factorization (AF) algorithm is formulated for solution of the three-dimensional unsteady transonic small-disturbance equation. The AF algorithm consists of a time linearization procedure coupled with a Newton iteration technique. Superior stability characteristics of the new algorithm are demonstrated through applications to steady and oscillatory flows at subsonic and supersonic freestream conditions for an F-5 fighter wing. For steady flow calculations, the size of the time step is cycled to achieve rapid convergence. For unsteady flow calculations, the AF algorithm is sufficiently robust to allow the step size to be selected based on accuracy rather than on stability considerations. Therefore, accurate solutions are obtained in only several hundred time steps yielding a significant computational cost savings when compared to alternative methods.

Batina, John T.↗

Re-Organizing Earth Observation Data Storage to Support Temporal Analysis of Big Data

The Earth Observing System Data and Information System archives many datasets that are critical to understanding long-term variations in Earth science properties. Thus, some of these are large, multi-decadal datasets. Yet the challenge in long time series analysis comes less from the sheer volume than the data organization, which is typically one (or a small number of) time steps per file. The overhead of opening and inventorying complex, API-driven data formats such as Hierarchical Data Format introduces a small latency at each time step, which nonetheless adds up for datasets with O(10^6) single-timestep files. Several approaches to reorganizing the data can mitigate this overhead by an order of magnitude: pre-aggregating data along the time axis (time-chunking); storing the data in a highly distributed file system; or storing data in distributed columnar databases. Storing a second copy of the data incurs extra costs, so some selection criteria must be employed, which would be driven by expected or actual usage by the end user community, balanced against the extra cost.

data storage↗

Implicit Numerical Methods in Meteorology

The development of a fully implicit finite-difference model, whose time step is chosen solely to resolve accurately the physical flow of interest is discussed. The method is based on an operator factorization which reduces the dimensionality of the implicit approach: at each time step only (spatially) one-dimensional block-tridiagonal linear systems must be solved. The scheme uses two time levels and is second-order accurate in time. Compact implicit spatial differences are used, yielding fourth-order accuracy both vertically and horizontally. In addition, the development of a fully interactive computer code is discussed. With this code the user will have a choice of models, with various levels of accuracy and sophistication, which are imbedded, as subsets of the fully implicit 3D code.

Augenbaum, J.↗

Time-dependent aerodynamic analysis of ducted and unducted propfans at angle of attack

A three-dimensional unsteady aerodynamic analysis is described for predicting the time-dependent flow about ducted and unducted propfans operating at angle of attack. Although the freestream is assumed to be uniform, the flow relative to the rotating blades varies with circumferential position, resulting in an inherent unsteadiness due to the nonaxial inflow. The time-dependent Euler equations are solved utilizing a Runge-Kutta time-stepping scheme. The analysis is based on a finite-volume discretization employing a multiple-block grid network. To permit the use of large calculation time steps, an implicit residual smoothing scheme previously tested for unsteady flow calculations in two dimensions is extended to three spatial dimensions. For unducted propfans, a single H-type grid block is used for each blade passage to determine the time-periodic flowfield. For ducted propfans (ultra-high bypass fans) a body-centered C-type grid is wrapped about the cowl to improve the accuracy of the analysis in the high gradient flow region near the cowl leading edge. Numerical results are compared with available data for both ducted and unducted propfans operating at angle of attack.

Hall, Edward J.↗

Sparse thermal data for cellular automata modeling of grain structure in additive manufacturing

Grain growth in the wake of the melt pool formed during alloy-based additive manufacturing (AM) is complex and multifaceted, depending on parameters governing heat transport, fluid flow, and solidification itself. Cellular automata (CA) models have proven effective in providing computationally efficient and physically sound predictions of grain structure for several AM problems, but their efficiency is tied to the performance of heat transport models. CA models use only a small portion of the problem's temperature data (near the moving melt pool boundary), and much of the CA calculations do not affect the final result due to re-melting of material. Coupling of and communication between heat transport and solidification models, and eliminating operations irrelevant towards final grain structure prediction, will be necessary for using these methods for efficient simulation of large parts. In this work, we introduce a procedure of decoupling the CA from temperature field simulation, using files of relevant temperature data written by the heat transport model. This approach is validated against the standard coupling approach using data obtained through the computational fluid dynamics software OpenFOAM. Negligible differences are seen in grain size, volume, and texture distributions for multilayer simulation of test problems, while the quantity of temperature data for these test problems was reduced by four orders of magnitude (from 100s of GB to 10s of MB) and the code performance sped up by a factor of around 50. Furthermore, variability in microstructure as a function of cell size, substrate, time step, and nucleation parameters is studied, and it is found that cell sizes less than or equal to 1.67 μm and sufficiently small time steps yield Αstatistically equivalent microstructures. Finally, a potential use case for this CA approach—the layer-wise convergence in grain structure starting from extremes in initial grain size—is examined. This approach's ability to simulate expected trends in nucleation and epitaxial grain growth for large regions of microstructure, simulated independently of heat transport models themselves, should prove useful for investigation of various microstructure uncertainties and prediction of part-scale experimental results.

36 MATERIALS SCIENCE↗