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At least 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

High-order partitioned spectral deferred correction solvers for multiphysics problems

We present an arbitrarily high-order, conditionally stable, partitioned spectral deferred correction (SDC) method for solving multiphysics problems using a sequence of pre-existing single-physics solvers. This method extends the work in [1], [2], which used implicit-explicit Runge-Kutta methods (IMEX) to build high-order, partitioned multiphysics solvers. We consider a generic multiphysics problem modeled as a system of coupled ordinary differential equations (ODEs), coupled through coupling terms that can depend on the state of each subsystem; therefore the method applies to both a semi-discretized system of partial differential equations (PDEs) or problems naturally modeled as coupled systems of ODEs. The sufficient conditions to build arbitrarily high-order partitioned SDC schemes are derived. Based on these conditions, various of partitioned SDC schemes are designed. The stability of the first-order partitioned SDC scheme is analyzed in detail on a coupled, linear model problem. We show that the scheme is conditionally stable, and under conditions on the coupling strength, the scheme can be unconditionally stable. We demonstrate the performance of the proposed partitioned solvers on several classes of multiphysics problems with moderate coupling strength. They include a stiff linear system of ODEs, advection-diffusion-reaction systems, and fluid-structure interaction problems with both incompressible and compressible flows, where we verify the design order of the SDC schemes and study various stability properties. We also directly compare the accuracy, stability, and cost of the proposed partitioned SDC solver with the partitioned IMEX method in [1], [2] on this suite of test problems. The results suggest that the high-order partitioned SDC solvers are more robust than the partitioned IMEX solvers for the numerical examples considered in this work, while the IMEX methods require fewer implicit solves.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1978

Strainrange partitioning behavior of the nickel-base superalloys, Rene' 80 and in 100

A study was made to assess the ability of the method of Strainrange Partitioning (SRP) to both correlate and predict high-temperature, low cycle fatigue lives of nickel base superalloys for gas turbine applications. The partitioned strainrange versus life relationships for uncoated Rene' 80 and cast IN 100 were also determined from the ductility normalized-Strainrange Partitioning equations. These were used to predict the cyclic lives of the baseline tests. The life predictability of the method was verified for cast IN 100 by applying the baseline results to the cyclic life prediction of a series of complex strain cycling tests with multiple hold periods at constant strain. It was concluded that the method of SRP can correlate and predict the cyclic lives of laboratory specimens of the nickel base superalloys evaluated in this program.

Halford, G. R.↗
DOE OSTI2025

The approximate second order coupled-cluster method based on a size-consistent Brillouin–Wigner partitioning

We present a variant of the approximate second order coupled-cluster method (CC2) with a two-parameter size-consistent Brillouin–Wigner (BW-s) partitioning instead of a Møller–Plesset (MP) partitioning for the unperturbed Hamiltonian, which we refer to as BWs-CC2. The computational complexity of this model scales identically to CC2 with molecular size. Conventional CC2 and its regularized BWs-CC2 variants, as well as conventional MP2 and two of its regularized BW-s2 variants, were assessed on a 535 element database spanning thermochemistry, non-covalent interactions, barrier heights, and isomerization energies. To ensure a well-defined model chemistry, the assessment was performed using internally stable spin-polarized Hartree–Fock (HF) orbitals in the finite aug-cc-pVQZ basis without counterpoise corrections. As a result of using stable orbitals, contrary to conventional wisdom, we find that CC2 substantially outperforms MP2 on molecules with significantly spin contaminated reference orbitals without a significant increase in error on systems with a spin-pure reference, showing the value of its single substitutions. While no single choice of regularization parameters can be optimal for all datasets, we find that BWs-CC2 generally outperforms both CC2 and BW-s2 with a single judicious parameter choice. Additional tests on dipole moments and bond lengths of diatomics provide further support for the utility of this choice. Furthermore, the main outliers and poorest performing cases are associated with large amounts of spin-contamination in the HF reference, which is indicative of systems with either strong correlation or extensive artificial symmetry breaking. Overall, these findings argue that the perception of the quality of the CC2 ground state should be reevaluated and that it can be further improved upon by the soundly based BWs-CC2 variant with the recommended parameter choice.

Correlation energy↗
NASA NTRS1994

Data-parallel lower-upper relaxation method for reacting flows

The implicit lower-upper symmetric Gauss-Seidel (LU-SGS) method of Yoon and Jameson is modified for use on massively parallel computers. The method has been implemented on the Thinking Machines CM-5 and the MasPar MP-1 and MP-2, where large percentages of the theoretical peak floating point performance are obtained. It is shown that the new data-parallel LU relaxation method has better convergence properties than the original method for two different inviscid compressible flow simulations. The convergence is also improved for five-species reacting air computations. The performance of the method on various partitions of the CM-5 and on the MasPar computers is discussed. The new method shows promise for the efficient simulation of very large perfect gas and reacting flows.

Candler, Graham V.↗
NASA NTRS1978

Strainrange partitioning behavior of the nickel-base superalloys, Rene 80 and 100

A study has been made to assess the ability of the method of Strainrange Partitioning (SRP) to both correlate and predict high-temperature low-cycle fatigue lives of nickel-base superalloys for gas turbine applications. SRP is shown to correlate the cyclic lives of the baseline tests to within factors of nearly two. The partitioned strainrage versus life relationships for uncoated Rene 80 and cast IN 100 have also been determined from the ductility normalized-strainrange partitioning equations. These were used to predict the cyclic lives of the baseline tests. Predicted and observed cyclic lives agreed to within factors of nearly three. The life predictability of the method is also verified for cast IN 100 by applying the baseline results to the cyclic-life prediction of a series of complex strain-cycling tests with multiple hold periods at constant strain. It is concluded that the method of SRP can correlate and predict the cyclic lives of laboratory specimens of the nickel-base superalloys evaluated in this program.

Halford, G. R.↗
NASA NTRS1991

Programming in a proposed 9X distributed Ada

The studies of the proposed Ada 9X constructs for distribution, now referred to as AdaPT are reported. The goals for this time period were to revise the chosen example scenario and to begin studying about how the proposed constructs might be implemented. The example scenario chosen is the Submarine Combat Information Center (CIC) developed by IBM for the Navy. The specification provided by IBM was preliminary and had several deficiencies. To address these problems, some changes to the scenario specification were made. Some of the more important changes include: (1) addition of a system database management function; (2) addition of a fourth processing unit to the standard resources; (3) addition of an operator console interface function; and (4) removal of the time synchronization function. To implement the CIC scenario in AdaPT, the decided strategy were publics, partitions, and nodes. The principle purpose for implementing the CIC scenario was to demonstrate how the AdaPT constructs interact with the program structure. While considering ways that the AdaPt constructs might be translated to Ada 83, it was observed that the partition construct could reasonably be modeled as an abstract data type. Although this gives a useful method of modeling partitions, it does not at all address the configuration aspects on the node construct.

Waldrop, Raymond S.↗
NASA NTRS1978

Strainrange partitioning behavior of the nickel-base superalloys, Rene 80 and IN-100

A study was made to assess the ability of the method of strainrange partitioning (SRP) to both correlate and predict high temperature, low cycle fatigue lives of nickel-base superalloys for gas turbine applications. Baseline data from strain-controlled, low cycle fatigue tests were expressed in terms of the PP, PC, CP, and CC partitioned inelastic strainrange versus life relationships for coated and uncoated Rene' 80 at 1000 C, Gatorized (creep-formed)IN 100 at 760 C, and cast IN 100 at 925 C. The SRP is shown to correlate the cyclic lives of the baseline tests to within factors of nearly two. The partitioned strainrange versus life relationships for uncoated Rene' 80 and cast IN 100 were also determined from the ductility normalized-strainrange partitioning equations. These were used to predict the cyclic lives of the baseline tests. Predicted and observed cyclic lives agreed to within factors of nearly three.

Halford, G. R.↗
DOE OSTI2022

A Novel Approach to Quantum Circuit Partitioning

Quantum synthesis presents an effective method of circuit optimization, but scales exponentially with the number of qubits in the circuit. This problem can be addressed by partitioning the circuit into blocks with a limited number of qubits. Existing partitioning algorithms make large trade-offs to achieve either high speed or quality. We propose a method of circuit partitioning which is competitive with existing algorithms for both metrics. The proposed method is compared with two existing methods across common circuit architectures, matching an exhaustive solution in performance and a fast solution on time.

Clark, Joseph↗
NASA NTRS1969

Root-cubing and general root-powering methods for finding the zeros of polynomials

Mathematical analysis technique generalizes a root squaring and root cubing method into a general root powering method. The introduction of partitioned polynomials into this general root powering method simplifies the coding of the polynomial transformations into input data suitable for processing by computer. The method includes analytic functions.

Bareiss, E. H.↗
NASA NTRS1976

Application of strainrange partitioning to the prediction of creep-fatigue lives of AISI types 304 and 316 stainless steel

As a demonstration of the predictive capabilities of the method of Strainrange Partitioning, published high-temperature, low cycle, creep-fatigue test results on AISI Types 304 and 316 stainless steel were analyzed and calculated, cyclic lives compared with observed lives. Predicted lives agreed with observed lives within factors of two for 76 percent, factors of three for 93 percent, and factors of four for 98 percent of the laboratory tests analyzed. Agreement between observed and predicted lives is judged satisfactory considering that the data are associated with a number of variables (two alloys, several heats and heat treatments, a range of temperatures, different testing techniques, etc.) that are not directly accounted for in the calculations.

Saltsman, J. F.↗
NASA NTRS1977

Application of Strainrange Partitioning to the prediction of creep-fatigue lives of AISI Types 304 and 316 stainless steel

As a demonstration of the predictive capabilities of the method of Strainrange Partitioning, published high-temperature, low cycle, creep-fatigue test results on AISI Types 304 and 316 stainless steel were analyzed and calculated cyclic lives compared with observed lives. Predicted lives agreed with observed lives within factors of two for 76 percent, factors of three for 93 percent, and factors of four for 98 percent of the laboratory tests analyzed. Agreement between observed and predicted lives is judged satisfactory considering that the data are associated with a number of variables (two alloys, several heats and heat treatments, a range of temperatures, different testing techniques, etc.) that are not directly accounted for in the calculations.

Saltsman, J. F.↗
NASA NTRS1976

Use of strainrange partitioning to predict high temperature low-cycle fatigue life

The fundamental concepts of the strainrange partitioning approach to high temperature, low low-cycle fatigue are reviewed. Procedures are presented by which the partitioned strainrange versus life relationships for any material can be generated. Laboratory tests are suggested for further verifying the ability of the method of strainrange partitioning to predict life.

Hirschberg, M. H.↗
NASA NTRS1993

Generalized seismic analysis

There is a constant need to be able to solve for enforced motion of structures. Spacecraft need to be qualified for acceleration inputs. Truck cargoes need to be safeguarded from road mishaps. Office buildings need to withstand earthquake shocks. Marine machinery needs to be able to withstand hull shocks. All of these kinds of enforced motions are being grouped together under the heading of seismic inputs. Attempts have been made to cope with this problem over the years and they usually have ended up with some limiting or compromise conditions. The crudest approach was to limit the problem to acceleration occurring only at a base of a structure, constrained to be rigid. The analyst would assign arbitrarily outsized masses to base points. He would then calculate the magnitude of force to apply to the base mass (or masses) in order to produce the specified acceleration. He would of necessity have to sacrifice the determination of stresses in the vicinity of the base, because of the artificial nature of the input forces. The author followed the lead of John M. Biggs by using relative coordinates for a rigid base in a 1975 paper, and again in a 1981 paper . This method of relative coordinates was extended and made operational as DMAP ALTER packets to rigid formats 9, 10, 11, and 12 under contract N60921-82-C-0128. This method was presented at the twelfth NASTRAN Colloquium. Another analyst in the field developed a method that computed the forces from enforced motion then applied them as a forcing to the remaining unknowns after the knowns were partitioned off. The method was translated into DMAP ALTER's but was never made operational. All of this activity jelled into the current effort. Much thought was invested in working out ways to unshakle the analysis of enforced motions from the limitations that persisted.

Butler, Thomas G.↗
NASA NTRS1979

The strainrange partitioning behavior of an advanced gas turbine disk alloy, AF2-1DA

The low-cycle, creep-fatigue characteristics of the advanced gas turbine disk alloy, AF2-1DA have been determined at 1400 F and are presented in terms of the method of strainrange partitioning (SRP). The mean stresses which develop in the PC and CP type SRP cycles at the lowest inelastic strainrange were observed to influence the cyclic lives to a greater extent than the creep effects and hence interfered with a conventional interpretation of the results by SRP. A procedure is proposed for dealing with the mean stress effects on life which is compatible with SRP.

Halford, G. R.↗
NASA NTRS1979

The strainrange partitioning behavior of an advanced gas turbine disk alloy, AF2-1DA

The low-cycle, creep-fatigue characteristics of the advanced gas turbine disk alloy, AF2-1DA have been determined at 1400 F and are presented in terms of the method of strainrange partitioning (SRP). The mean stresses which develop in the PC (tensile Plasticity reversed by compressive Creep) and CP (tensile Creep reversed by compressive Plasticity) type SRP cycles at the lowest inelastic strainrange were observed to influence the cyclic lives to a greater extent than the creep effects and hence interfered with a conventional interpretation of the results by SRP. A procedure is proposed for dealing with the mean stress effects on life which is compatible with SRP.

Halford, G. R.↗
NASA NTRS1996

The Perils of Partition: Difficulties in Retrieving Magma Compositions from Chemically Equilibrated Basaltic Meteorites

The chemical compositions of magmas can be derived from the compositions of their equilibrium minerals through mineral/magma partition coefficients. This method cannot be applied safely to basaltic rocks, either solidified lavas or cumulates, which have chemically equilibrated or partially equilibrated at subsolidus temperatures, i.e., in the absence of magma. Applying mineral/ melt partition coefficients to mineral compositions from such rocks will typically yield 'magma compositions' that are strongly fractionated and unreasonably enriched in incompatible elements (e.g., REE's). In the absence of magma, incompatible elements must go somewhere; they are forced into minerals (e.g., pyroxenes, plagioclase) at abundance levels far beyond those established during normal mineral/magma equilibria. Further, using mineral/magma partition coefficients with such rocks may suggest that different minerals equilibrated with different magmas, and the fractionation sequence of those melts (i.e., enrichment in incompatible elements) may not be consistent with independent constraints on the order of crystallization. Subsolidus equilibration is a reasonable cause for incompatible- element-enriched minerals in some eucrites, diogenites, and martian meteorites and offers a simple alternative to petrogenetic schemes involving highly fractionated magmas or magma infiltration metasomatism.

Treiman, Allan H.↗
DOE OSTI2026

Shifts in Evapotranspiration Components During Heatwaves Alter Surface Cooling

Heatwave events significantly alter ecosystem water and energy balance and are often accompanied by extreme surface temperatures. Understanding how surface temperatures during such events are regulated by soil evaporation (E) and vegetation transpiration (T) remains limited due to challenges in partitioning total evapotranspiration (ET). Here, high-frequency turbulence methods are used to partition observed ET at 32 National Ecological Observatory Network sites across the contiguous United States. Heatwaves were defined as at least three consecutive days with daily maximum air temperature exceeding the site-specific 90th percentile of the 2019–2021 record. Across 268 identified events, the T/ET ratio decreased by 32% ± 16% relative to the non-heatwave baseline of 0.65, with greater reductions at lower biomass sites. The T/ET ratio was typically suppressed below non-heatwave conditions during the early and middle stages of the heatwave (first two-thirds of event duration), but was on average higher than non-heatwave baseline levels during late stages (final third) due to extremely low soil evaporation. Of the studied heatwaves, 71% of these had surface temperatures above 38°C in their late stage; however, heatwaves sustaining higher evaporation fluxes (upper tertile of observed fluxes) during the late stage were associated with relative surface temperature anomalies that were on average 45% lower than those of heatwaves with lower evaporation fluxes (lower tertile). The commensurate surface cooling induced by higher transpiration was only 2% during heatwaves, suggesting that transpiration has a limited ability to mitigate extreme surface temperatures. This study allows for improved prediction of ecosystem feedbacks under extreme thermal stress.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2014

High-Order Implicit-Explicit Multi-Block Time-stepping Method for Hyperbolic PDEs

This work seeks to explore and improve the current time-stepping schemes used in computational fluid dynamics (CFD) in order to reduce overall computational time. A high-order scheme has been developed using a combination of implicit and explicit (IMEX) time-stepping Runge-Kutta (RK) schemes which increases numerical stability with respect to the time step size, resulting in decreased computational time. The IMEX scheme alone does not yield the desired increase in numerical stability, but when used in conjunction with an overlapping partitioned (multi-block) domain significant increase in stability is observed. To show this, the Overlapping-Partition IMEX (OP IMEX) scheme is applied to both one-dimensional (1D) and two-dimensional (2D) problems, the nonlinear viscous Burger's equation and 2D advection equation, respectively. The method uses two different summation by parts (SBP) derivative approximations, second-order and fourth-order accurate. The Dirichlet boundary conditions are imposed using the Simultaneous Approximation Term (SAT) penalty method. The 6-stage additive Runge-Kutta IMEX time integration schemes are fourth-order accurate in time. An increase in numerical stability 65 times greater than the fully explicit scheme is demonstrated to be achievable with the OP IMEX method applied to 1D Burger's equation. Results from the 2D, purely convective, advection equation show stability increases on the order of 10 times the explicit scheme using the OP IMEX method. Also, the domain partitioning method in this work shows potential for breaking the computational domain into manageable sizes such that implicit solutions for full three-dimensional CFD simulations can be computed using direct solving methods rather than the standard iterative methods currently used.

Nielsen, Tanner B.↗