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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Planet-induced Vortices with Dust Coagulation in Protoplanetary Disks

In this work, we study how the dust coagulation/fragmentation will influence the evolution and observational appearances of vortices induced by a massive planet embedded in a low-viscosity disk by performing global 2D high-resolution hydrodynamical simulations. Within the vortex, due to its higher gas surface density and steeper pressure gradients, dust coagulation, fragmentation, and drift (to the vortex center) are all quite efficient, producing dust particles ranging from 1 μm to ~1.0 cm, as well as an overall high dust-to-gas ratio (above unity). In addition, the dust size distribution is quite nonuniform inside the vortex, with the mass-weighted average dust size at the vortex center (~4.0 mm) being a factor of ~10 larger than other vortex regions. Both large (~millimeter) and small (tens of microns) particles contribute strongly to affect the gas motion within the vortex. As such, we find that the inclusion of dust coagulation has a significant impact on the vortex lifetime and the typical vortex lifetime is about 1000 orbits. Furthermore, after the initial gaseous vortex is destroyed, the dust spreads into a ring with a few remaining smaller gaseous vortices with a high dust concentration and a large maximum size (~millimeter). At late time, the synthetic dust continuum images for the coagulation case show as a ring inlaid with several hot spots at the 1.33 mm band, while only distinct hot spots remain at 7.0 mm.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Search for Astrophysical Electron Antineutrinos in Super-Kamiokande with 0.01% Gadolinium-loaded Water

We report the first search result for the flux of astrophysical electron antineutrinos for energies $\mathcal{O}$(10)$MeV$ in the gadolinium-loaded Super-Kamiokande (SK) detector. In 2020 June, gadolinium was introduced to the ultrapure water of the SK detector in order to detect neutrons more efficiently. In this new experimental phase, SK-Gd, we can search for electron antineutrinos via inverse beta decay with efficient background rejection thanks to the high efficiency of the neutron tagging technique. In this paper, we report the result for the initial stage of SK-Gd, during 2020 August 26, and 2022 June 1 with a 22.5 × 552 kton · day exposure at 0.01% Gd mass concentration. No significant excess over the expected background in the observed events is found for the neutrino energies below 31.3 MeV. Thus, the flux upper limits are placed at the 90% confidence level. The limits and sensitivities are already comparable with the previous SK result with pure water (22.5 × 2970 kton · day) owing to the enhanced neutron tagging. Operation with Gd increased to 0.03% started in 2022 June.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Variable Orientation of Biomass/Fast Microwave Pyrolysis Yield

Biomass that is considered “unusable” can be reused through the pyrolysis or extreme heating of mass with no oxygen. Pyrolysis can be an extremely beneficial practice for the fuel industry; however, the physical process of pyrolysis can be difficult to obtain consistent results. The goal to my research is to find a more physically efficient process to obtain an equal or greater amount of biofuel in comparison to the original process that is currently used. This will be obtained by pyrolyzing biomass pellets in different volumes and orientations and observation the results/yields.

09 BIOMASS FUELS↗
DOE OSTI2024

High- and Mid-Fidelity Modeling Comparison for a Floating Marine Turbine System: Preprint

There is a lack of suitable numerical tools, particularly open-source tools, that can be used for designing and optimizing marine turbine systems. The National Renewable Energy Laboratory (NREL) has added features to their widely used mid-fidelity wind turbine modeling code, OpenFAST, to enable modeling of axial flow marine turbines. This necessitated the addition of several physical effects relevant to marine turbines that can be neglected for wind turbines. These include buoyant loads, added mass and inertia loads, wave-current superposition, and changes to the coordinate systems. This updated version of OpenFAST allows for the modeling of both fixed and floating marine turbine systems at a speed comparable to real time. While efficient for long simulations, large sets of load cases, and design studies, mid-fidelity codes cannot capture all of the potentially important physical phenomenon impacting marine turbine systems. High-fidelity computational fluid dynamics (CFD) simulations can capture more flow effects with fewer assumptions and provide detailed body pressure mapping and flow-field information. It is important to compare predictions between mid-fidelity and high-fidelity codes, both to verify the models and to understand the limitations. A floating marine turbine system designed by NREL was modeled both with OpenFAST and with the commercial CFD code, STARCCM+. The CFD model used a 3-D unsteady Reynolds-averaged Navier-Stokes solver for a volume-of-fluid numerical wave and current tank. The blade-resolved simulations used the sliding-interface technique for the spinning rotor and an overset grid to accommodate the rigid-body motion of the floating system. The mooring system was modelled with a custom coupling of the CFD solver with the open-source code, MoorDyn. This improves upon the existing quasi-static catenary solver in STARCCM+, which lacks seabed contact or line-to-line connections. Spatial and temporal convergence studies were conducted. The simulation results for a combined current and wave condition are compared between OpenFAST and CFD, highlighting the capabilities of the mid-fidelity code and identifying the areas where a high-fidelity approach is needed.

CFD↗
DOE OSTI2022

Efficient carbon capture using sub-textured polymer packing surfaces via 3D printing

Gas absorption is a common unit operation whose performance deeply relies on the gas liquid contact behavior. In this work, we report a solid polymeric surface feature containing microscale striation to improve the solid-liquid and gas-liquid contact and facilitate mass transfer. As a proof of concept, the surface feature is adopted for CO 2 capture absorber packing via 3D printing. Besides traditional embossing texture, an additional laminar striation is applied to the packing surface as a sub-texture. The packing shows notable CO 2 mass transfer increase without interfering with other key operating characteristics including pressure drop and liquid holdup. The improvement is based on the synergy of favorable wettability, thin liquid film and increased liquid mixing from rougher surface. In the demonstration test, the packing height could decrease by 33% using the advanced packing with same CO 2 removal, leading to a significant decrease in equipment size and capital expense for commercial CO 2 capture systems.

3D printing↗
DOE OSTI2024

Performance Improvements of the Griffin Solvers in FY24

The Griffin code is a MOOSE-based reactor physics application jointly developed by Idaho National Laboratory and Argonne National Laboratory under the Department of Energy Office of Nuclear Energy Nuclear Energy Advanced Modeling and Simulation Program. This fiscal year, we have made significant efforts to improve the performance of transport solver options and cross-section generation for the efficient use of Griffin in advanced reactor applications. For the HFEM-PN solver, the residual evaluations of HFEM kernels were optimized by utilizing the pre- computed averaged cross sections for individual elements. Numerical integration involving the evaluation of basis functions at quadrature points was bypassed by facilitating precomputed element mass matrices for response matrices. Red-black iterations were improved by introducing a new generalized minimum residual based solver. The memory usage of response matrix storage was significantly reduced by applying basis function rotations on interfaces and calculating volumetric odd-parity moments on the fly. Additionally, the adjoint flux and transient calculation capabilities of the HFEM-PN solver were successfully implemented and verified using the TWIGL benchmark problem. For the DFEM-SN solver, memory footprint and computation time were significantly reduced by not treating angular flux vectors as the MOOSE nonlinear system vectors. Specifically for IQS, scalar adjoint weighting was introduced to further eliminate angular adjoint flux storage in the MOOSE auxiliary system. It was demonstrated through the three-dimensional Advanced Burner Test Reactor core problem that the memory usage for transient calculations with the IQS method was reduced by over 7.5× compared to before the optimizations. For the self-shielding application programming interface, a new double-heterogeneity treatment method, named the Bell Function-Based Analytic Two-Region Slowing Down Method, was developed to efficiently flux-volume homogenize TRISO particles with the matrix. Additionally, optimizations were made to hyper- fine group (HFG) slowing down calculations by pretabulating collision probability coefficients and grouping isotopes, significantly reducing the computational time for calculating scattering sources per HFG. Lastly, the pin power reconstruction module was extended to account for temporal behavior in a microreactor analysis problem, specifically for a control drum transient. Verification tests for each of these improvements demonstrated significant performance enhancements and memory reduction.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Revisiting the Role of Conductivity and Polarity of Host Materials for Long-Life Lithium–Sulfur Battery

Despite their high theoretical energy density and low cost, lithium-sulfur batteries (LSBs) suffer from poor cycle life and low energy efficiency owing to the polysulfides shuttle and the electronic insulating nature of sulfur. Conductivity and polarity are two critical parameters for the search of optimal sulfur host materials. However, their role in immobilizing polysulfides and enhancing redox kinetics for long-life LSBs are not fully understood. In this work we have conducted an evaluation on the role of polarity over conductivity by using a polar but nonconductive platelet ordered mesoporous silica (pOMS) and its replica platelet ordered mesoporous carbon (pOMC), which is conductive but nonpolar. It is found that the polar pOMS/S cathode with a sulfur mass fraction of 80 wt% demonstrates outstanding long-term cycle stability for 2000 cycles even at a high current density of 2C. Furthermore, the pOMS/S cathode with a high sulfur loading of 6.5 mg cm -2 illustrates high areal and volumetric capacities with high capacity retention. Complementary physical and electrochemical probes clearly show that surface polarity and structure are more dominant factors for sulfur utilization efficiency and long-life, while the conductivity can be compensated by the conductive agent involved as a required electrode material during electrode preparation. The present findings shed new light on the design principles of sulfur hosts towards long-life and highly efficient LSBs.

25 ENERGY STORAGE↗
DOE OSTI2024

Characterization of n-Type Iodine-Doped and Indium-Doped CdTe/Cd-Se-Te Thin Films Fabricated by Close-Spaced Sublimation Epitaxy

In this study, n-type CdTe thin films, specifically iodine-doped CdTe (CdTe:I), indium-doped CdTe (CdTe:In), and indium-doped Cd-Se-Te (CST:In), were synthesized using close-spaced sublimation epitaxy (CSSE). Characterization techniques secondary ion mass spectrometry (SIMS), electron backscatter diffraction (EBSD), Hall-effect measurements, and time-resolved photoluminescence (TRPL) were employed to analyze the chemical, structural, and electronic properties of these materials. The results indicated epitaxial single crystal CSSE films grew on the single crystal substrates, with carrier density ranging from 10^14 - 10^16 cm -3 , and after post-annealing, the minority-carrier lifetimes reach near the radiative limit. Additionally, a preliminary exploration of homojunction structures with an n- type (CdTe:In /CST:In /CdTe:I) /CdTe:P /Cu /Mo configuration was performed. The best device performance was achieved with CdTe:I including CdS aiding in band alignment, resulting in a power conversion efficiency (..eta..) of 2.61% with open circuit voltage (Voc) of 850 mV, fill factor (FF) of 47.8%, and short-circuit current (Jsc) of 6.44 mA/cm 2 . The observed low Jsc and efficiency may be attributed to a buried junction and a poor interface, due to dopant interdiffusion. Consequently, further investigations focusing on interface optimization, diffusion blocking, and reduced recombination through passivation, are crucial to enhancing the efficiency of CSSE CdTe homojunction devices in the future.

cadmium compounds↗
DOE OSTI2020

Building Electron/Proton Nanohighways for Full Utilization of Water Splitting Catalysts

Low electron/proton conductivities of electrochemical catalysts, especially earth-abundant nonprecious metal catalysts, severely limit their ability to satisfy the triple-phase boundary (TPB) theory, resulting in extremely low catalyst utilization and insufficient efficiency in energy devices. In this study, an innovative electrode design strategy is proposed to build electron/proton transport nanohighways to ensure that the whole electrode meets the TPB, therefore significantly promoting enhance oxygen evolution reactions and catalyst utilizations. It is discovered that easily accessible/tunable mesoporous Au nanolayers (AuNLs) not only increase the electrode conductivity by more than 4000 times but also enable the proton transport through straight mesopores within the Debye length. The catalyst layer design with AuNLs and ultralow catalyst loading (≈0.1 mg cm -2 ) augments reaction sites from 1D to 2D, resulting in an 18-fold improvement in mass activities. Furthermore, using microscale visualization and unique coplanar-electrode electrolyzers, the relationship between the conductivity and the reaction site is revealed, allowing for the discovery of the conductivity-determining and Debye-length-determining regions for water splitting. These findings and strategies provide a novel electrode design (catalyst layer + functional sublayer + ion exchange membrane) with a sufficient electron/proton transport path for high-efficiency electrochemical energy conversion devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

An efficient LC-MS method for isomer separation and detection of sugars, phosphorylated sugars, and organic acids

Abstract Assessing central carbon metabolism in plants can be challenging due to the dynamic range in pool sizes, with low levels of important phosphorylated sugars relative to more abundant sugars and organic acids. Here, we report a sensitive liquid chromatography–mass spectrometry method for analysing central metabolites on a hybrid column, where both anion-exchange and hydrophilic interaction chromatography (HILIC) ligands are embedded in the stationary phase. The liquid chromatography method was developed for enhanced selectivity of 27 central metabolites in a single run with sensitivity at femtomole levels observed for most phosphorylated sugars. The method resolved phosphorylated hexose, pentose, and triose isomers that are otherwise challenging. Compared with a standard HILIC approach, these metabolites had improved peak areas using our approach due to ion enhancement or low ion suppression in the biological sample matrix. The approach was applied to investigate metabolism in high lipid-producing tobacco leaves that exhibited increased levels of acetyl-CoA, a precursor for oil biosynthesis. The application of the method to isotopologue detection and quantification was considered through evaluating 13C-labeled seeds from Camelina sativa. The method provides a means to analyse intermediates more comprehensively in central metabolism of plant tissues.

Plant Sciences↗
DOE OSTI2023

Bond Energies of UO + and UC + : Guided Ion Beam and Quantum Chemical Studies of the Reactions of Uranium Cation with O 2 and CO

Here, guided ion beam tandem mass spectrometry was used to examine the kinetic energy dependent reactions of U + with O 2 and CO. In the reaction of U + with O 2 , the UO + product is formed in a barrierless and exothermic process with a reaction efficiency at low energies of k/k col =1.1±0.2, but increases at higher collision energies. Formation of both UO + and UC + in the reaction of U + with CO is endothermic. 0 K bond dissociation energies (BDEs) of D 0 (U + -O)=7.88±0.09 eV and D 0 (U + -C)=4.03±0.13 eV were determined by analyzing the kinetic energy dependent cross sections in the latter endothermic reactions. These values are within experimental uncertainty of previously reported experimental values. Additionally, the electronic states of UO + and UC + and the potential energy surfaces for the reactions were explored by quantum chemical calculations. The former include a full Feller-Peterson-Dixon composite approach with correlation contributions up to CCSDT(Q) for UO and UO + , yielding D 0 (U-O)=7.82 eV and D 0 (U + -O)=7.99 eV, as well as more approximate CCSD(T) calculations where a semi-empirical model was used to estimate spin-orbit energy contributions, which are generally found to improve the agreement with experiment. Both experimental BDEs are observed to be close to those of their transition metal congeners, ScL + , YL + , and GdL + (L=O and C).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Impacts of constraints and uncertainties on projected amount of Hanford low-activity waste glasses

A systematic evaluation of Hanford low-activity waste (LAW) loading in alkali-aluminoborosilicate glasses was performed. A set of 22 waste compositions were selected to represent the range of wastes anticipated across the Hanford mission. Glass composition was formulated for each waste to simultaneously satisfy a full cadre of property and composition constraints while maximizing waste loading. Glass properties were estimated using property models recently developed for Hanford LAW Facility operation. The impacts from the property and composition constraints on the glass mass to be produced were calculated and compared. Electrical conductivity, Vapor Hydration Test and SO 3 melter tolerance, and canister-centerline cooling crystal constraints have a large effect on reducing total glass mass, while the impact from Product Consistency Test, viscosity, and isothermal crystal constraints is relatively small. Additionally, effects of model prediction and process/composition uncertainties were quantified. The results identified areas of future research that could be useful to improve the efficiency of plant operation.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Impacts of Jets and winds from primordial black holes

ABSTRACT Primordial black holes (PBHs) formed in the early Universe constitute an attractive candidate for dark matter. Within the gaseous environment of the interstellar medium, PBHs with accretion discs naturally launch outflows such as winds and jets. We discuss for the first time how PBHs with significant spin can sustain powerful relativistic jets and generate associated cocoons. Jets and winds can efficiently deposit their kinetic energies and heat the surrounding gas through shocks. Focusing on the Leo T dwarf galaxy, we demonstrate that these effects form novel tests and set new limits on PBHs over a significant ∼10−2 –106 M⊙ mass range, including the parameter space associated with gravitational wave observations by the LIGO and VIRGO Collaborations. Observing the morphology of emission will allow to distinguish between jet and wind contributions, and hence establishes a new method for identifying spinning PBHs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Physics-Informed Machine Learning for Modeling and Control of Dynamical Systems

Physics-informed machine learning (PIML) is a set of methods and tools that systematically integrate machine learning (ML) algorithms with physical constraints and abstract mathematical models developed in scientific and engineering domains. As opposed to purely data-driven methods, {PIML} models can be trained from additional information obtained by enforcing physical laws such as energy and mass conservation. More broadly, {PIML} models can include abstract properties and conditions such as stability, convexity, or invariance. The basic premise of {PIML} is that the integration of ML and physics can yield more effective, physically consistent, and data-efficient models. This paper aims to provide a tutorial-like overview of the recent advances in {PIML} for dynamical system modeling and control. Specifically, the paper covers an overview of the theory, fundamental concepts and methods, tools, and applications on topics of: 1) physics-informed learning for system identification; 2) physics-informed learning for control; 3) analysis and verification of {PIML} models; and 4) physics-informed digital twins. The paper is concluded with a perspective on open challenges and future research opportunities.

Nghiem, Truong↗
DOE OSTI2024

How to Turn Jets into Cylinders near Supermassive Black Holes in 3D General Relativistic Magnetohydrodynamic Simulations

Abstract Accreting supermassive black holes (SMBHs) produce highly magnetized relativistic jets that tend to collimate gradually as they propagate outward. However, recent radio interferometric observations of the 3C 84 galaxy reveal a stunning, cylindrical jet already at several hundred SMBH gravitational radii,r≳ 350r g . We explore how such extreme collimation emerges via a suite of 3D general relativistic magnetohydrodynamic simulations. We consider an SMBH surrounded by a magnetized torus immersed in a constant-density ambient medium that starts at the edge of the SMBH sphere of influence, chosen to be much larger than the SMBH gravitational radius,r B = 10 3 r g . We find that radiatively inefficient accretion flows (e.g., M87) produce winds that collimate the jets into parabolas near the black hole. After the disk winds stop collimating the jets atr≲r B , they turn conical. Once outsider B , the jets run into the ambient medium and form backflows that collimate the jets into cylinders some distance beyondr B . Interestingly, for radiatively efficient accretion, as in 3C 84, the radiative cooling saps the energy out of the disk winds; at early times, they cannot efficiently collimate the jets, which skip the initial parabolic collimation stage, start out conical near the SMBH, and turn into cylinders already atr≃ 300r g , as observed in 3C 84. Over time, the jet power remains approximately constant, whereas the mass accretion rate increases; the winds grow in strength and start to collimate the jets, which become quasi-parabolic near the base, and the transition point to a nearly cylindrical jet profile moves outward while remaining insider B .

Astronomy & Astrophysics↗
DOE OSTI2025

Burning conditions and transportation pathways determine biomass-burning aerosol properties in the Ascension Island marine boundary layer

Abstract. African biomass-burning aerosol (BBA) in the southeast Atlantic Ocean (SEA) marine boundary layer (MBL) is an important contributor to Earth's radiation budget, yet its representation remains poorly constrained in regional and global climate models. Data from the Layered Atlantic Smoke Interactions with Clouds (LASIC) field campaign on Ascension Island (7.95° S, 14.36° W) provide insight into how burning conditions, fuel type, transport pathways, and atmospheric processing affect the chemical, microphysical, and optical properties of BBA between June and September 2017. A total of 10 individual plume events characterize the seasonal evolution of the BBA properties. Early-season inefficient fires, determined by low refractory black carbon to above-background carbon monoxide mixing ratios (rBC : ΔCO), led to enhanced concentrations of organic- and sulfate-rich aerosols. Mid-season efficient fires, determined by higher rBC : ΔCO values, led to rBC-enriched BBA. A mix of efficient and inefficient fires later in the season resulted in conflicting BBA properties. Prolonged transport (∼ 10 d) through the MBL and lower free troposphere (FT) facilitated chemical and aqueous-phase processing, which led to a reduction in organic aerosol mass concentrations. This resulted in lower organic aerosol (OA) to rBC (OA : rBC) mass ratios (2–5) in the MBL compared to higher values (5–15) in the nearby FT. These atmospheric and cloud oxidation processes yield more light-absorbing BBA and explain the notably low single-scattering albedo at 530 nm (SSA530) values (< 0.80) observed in the MBL. This study establishes a robust correlation between SSA530 and OA : rBC across the MBL and FT, underscoring the dependency of optical properties on chemical composition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Foot-scale Evaluation of CO2-Responsive Polymer and CO2 Binary Fluid as an Alternative Fracturing Fluid for Enhanced Geothermal Systems

A foot-scale high-temperature true-triaxial fracturing apparatus was used to conduct hydraulic fracture tests on rock samples. The fracturing tests used different fluids including water, CO2, CO2 with water, and CO2 with a 1% polyallylamine (PAA)/water solution. The tests were conducted with both constant pressure injection and constant flow rate injection modes. CO2-based fracturing fluids were found to produce higher breakdown pressures, high transient flow rates, and produce higher-conductivity fractures as compared to water-based fracturing fluids. Additionally, faster pressurization rates with CO2-based fracturing fluids (obtained when fracturing at constant flow rate mode) are found to be associated with higher fracture conductivities. When fracturing with CO2-based fluids in the presence of a PAA aqueous solution, for example if the rock is saturated with 1wt% PAA in water, the volume expansion caused by CO2-induced crosslinking of PAA leads to a faster pressure increase due to the associated volume expansion and increase in viscosity. It was also found that CO2 as a fracturing fluid injected in hot dry rock (HDR) attain the highest fracture conductivity only when injected at very high flow rates, followed very closely by the CO2/PAA fracturing fluid system that generates fractures with, on average, similarly high conductivity values though independently of injection flow rate and using 1/6 of the mass of CO2 as compared to CO2 in HDR. Breakdown pressures were also similar for CO2 stimulation in HDR and CO2/PAA fluid system under identical injection flow rates. Finally, the well-known low viscosity of CO2 phase prevents the efficient transport of proppants while the reacted CO2/PAA fluid system is known to form a high viscosity binary fracturing fluid system with the potential to carry proppant in addition of being a fine fracturing fluid.

Enhanced Geothermal Systems, polyallylamine, Co2-r↗
DOE OSTI2020

An efficient method to integrate polynomials over polytopes and curved solids

Here in this paper, we present an efficient approach to compute the integral of monomials and polynomials over polyhedra and regions defined by parametric curved boundary surfaces. We use Euler's theorem for homogeneous functions in combination with Stokes's theorem to reduce the integration of a monomial over a three-dimensional solid to its boundary. If the solid is a polytope, through a recursive application of these theorems, the integral is further reduced to just the evaluation of the monomial and its derivatives at the vertices of the polytope. The present approach is simpler than existing techniques that rely on repeated use of the divergence theorem, which require the antiderivative of the monomials and the projection of these functions onto hyperplanes. For convex and nonconvex polytopes, our approach does not introduce any approximation for the integration of monomials. For curved solid regions bounded by surfaces that admit a parameterization, the same approach yields simplified formulas to compute the integral of any homogeneous function, including monomials. For surfaces parameterized by polynomial surfaces (such as Bezier surface triangles and B-spline patches), the method yields machine-precision accuracy for the volumetric integration of monomials with an appropriate quadrature rule. Numerical examples over regions bounded by polynomial surfaces and rational surfaces are presented to establish the accuracy and efficiency of the method.

97 MATHEMATICS AND COMPUTING↗