High fidelity, discrete element method simulation of magnetorheological fluids using accurate particle size distributions in LIGGGHTS extended with mutual dipole method
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Thomas Leps↗
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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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Hybrid Adaptive Ray-Moment Method (HARM2): A highly parallel method for radiation hydrodynamics on adaptive grids
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A.L. Rosen↗
Implementation of Leak Test Methods for the International Space Station (ISS) Elements, Systems and Components
The International Space Station (ISS has Qualification and Acceptance Environmental Test Requirements document, SSP 41172 that includes many environmental tests such as Thermal vacuum & Cycling, Depress/Repress, Sinusoidal, Random, and Acoustic Vibration, Pyro Shock, Acceleration, Humidity, Pressure, Electromatic Interference (EMI)/Electromagnetic Compatibility (EMCO), etc. This document also includes (13) leak test methods for Pressure Integrity Verification of the ISS Elements, Systems, and Components. These leak test methods are well known, however, the test procedure for specific leak test method shall be written and implemented paying attention to the important procedural steps/details that, if omitted or deviated, could impact the quality of the final product and affect the crew safety. Such procedural steps/details for different methods include, but not limited to: - Sequence of testing, f or example, pressurization and submersion steps for Method I (Immersion); - Stabilization of the mass spectrometer leak detector outputs fo r Method II (vacuum Chamber or Bell jar); - Proper data processing an d taking a conservative approach while making predictions for on-orbit leakage rate for Method III(Pressure Change); - Proper Calibration o f the mass spectrometer leak detector for all the tracer gas (mostly Helium) Methods such as Method V (Detector Probe), Method VI (Hood), Method VII (Tracer Probe), Method VIII(Accumulation); - Usage of visibl ility aides for Method I (Immersion), Method IV (Chemical Indicator), Method XII (Foam/Liquid Application), and Method XIII (Hydrostatic/Visual Inspection); While some methods could be used for the total leaka ge (either internal-to-external or external-to-internal) rate requirement verification (Vacuum Chamber, Pressure Decay, Hood, Accumulation), other methods shall be used only as a pass/fail test for individual joints (e.g., welds, fittings, and plugs) or for troubleshooting purposes (Chemical Indicator, Detector Probe, Tracer Probe, Local Vacuum Chamber, Foam/Liquid Application, and Hydrostatic/Visual Inspection). Any isolation of SSP 41172 requirements have led to either retesting of hardware or accepting a risk associated with the potential system or component pressure integrity problem during flight.
Underwood, Steve↗
A Particle-in-Cell Method for Plasmas with a Generalized Momentum Formulation, Part II: Enforcing the Lorenz Gauge Condition
In a previous paper Christlieb et al. (A particle-in-cell method for plasmas with a generalized momentum formulation, part I: Model formulation, 2024), we developed a new particle-in-cell (PIC) method for the relativistic Vlasov–Maxwell system in which the electromagnetic fields and the equations of motion for the particles were cast in terms of scalar and vector potentials through a Hamiltonian formulation. This new method evolved the potentials under the Lorenz gauge using integral equation methods. New methods to construct spatial derivatives of the potentials that converge at the same rates as the fields were also presented. The new particle method was compared against standard explicit discretizations, including the well-known FDTD-PIC method, for a range of applications involving sheaths and particle beams. Here, this paper extends this new class of methods by focusing on the enforcement the Lorenz gauge condition in both exact and approximate forms using co-located meshes. A time-consistency property of the proposed field solver for the vector potential form of Maxwell’s equations is established, which is shown to preserve the equivalence between the semi-discrete Lorenz gauge condition and the analogous semi-discrete continuity equation. Using this property, we present three methods to enforce a semi-discrete gauge condition. The first method introduces an update for the continuity equation that is consistent with the discretization of the Lorenz gauge condition. Both the finite difference and spectral implementations satisfy this discrete gauge condition to machine precision. The second approach we propose enforces a semi-discrete continuity equation using the boundary integral solution to the field equations. The potential benefit of this approach is that it eliminates spatial derivatives that appear on the particle data, namely the current density, which is often calculated by linear combinations of low-order spline basis functions. This method is ideally suited to boundary integral equation methods that invert multi-dimensional operators without dimensional splitting techniques and will be the subject of future work. The third approach introduces a gauge correcting method that makes direct use of the gauge condition to modify the scalar potential and uses local maps for both the charge and current densities. This results in a gauge error, as the maps do not enforce the continuity equation. The vector potential coming from the current density is taken to be exact, and using the Lorenz gauge, we compute a correction to the scalar potential that makes the two potentials satisfy the gauge condition. This method also enforces the gauge condition to machine precision. We demonstrate two of the proposed methods in the context of periodic domains. Problems defined on bounded domains, including those with complex geometric features remain an ongoing effort. However, this work shows that it is possible to design computationally efficient methods that can effectively enforce the Lorenz gauge condition in a non-staggered PIC formulation.
97 MATHEMATICS AND COMPUTING↗
The multigrid preconditioned conjugate gradient method
A multigrid preconditioned conjugate gradient method (MGCG method), which uses the multigrid method as a preconditioner of the PCG method, is proposed. The multigrid method has inherent high parallelism and improves convergence of long wavelength components, which is important in iterative methods. By using this method as a preconditioner of the PCG method, an efficient method with high parallelism and fast convergence is obtained. First, it is considered a necessary condition of the multigrid preconditioner in order to satisfy requirements of a preconditioner of the PCG method. Next numerical experiments show a behavior of the MGCG method and that the MGCG method is superior to both the ICCG method and the multigrid method in point of fast convergence and high parallelism. This fast convergence is understood in terms of the eigenvalue analysis of the preconditioned matrix. From this observation of the multigrid preconditioner, it is realized that the MGCG method converges in very few iterations and the multigrid preconditioner is a desirable preconditioner of the conjugate gradient method.
Tatebe, Osamu↗
Urban Image Classification: Per-Pixel Classifiers, Sub-Pixel Analysis, Object-Based Image Analysis, and Geospatial Methods: Chapter - 10
Remote sensing methods used to generate base maps to analyze the urban environment rely predominantly on digital sensor data from space-borne platforms. This is due in part from new sources of high spatial resolution data covering the globe, a variety of multispectral and multitemporal sources, sophisticated statistical and geospatial methods, and compatibility with GIS data sources and methods. The goal of this chapter is to review the four groups of classification methods for digital sensor data from space-borne platforms; per-pixel, sub-pixel, object-based (spatial-based), and geospatial methods. Per-pixel methods are widely used methods that classify pixels into distinct categories based solely on the spectral and ancillary information within that pixel. They are used for simple calculations of environmental indices (e.g., NDVI) to sophisticated expert systems to assign urban land covers. Researchers recognize however, that even with the smallest pixel size the spectral information within a pixel is really a combination of multiple urban surfaces. Sub-pixel classification methods therefore aim to statistically quantify the mixture of surfaces to improve overall classification accuracy. While within pixel variations exist, there is also significant evidence that groups of nearby pixels have similar spectral information and therefore belong to the same classification category. Object-oriented methods have emerged that group pixels prior to classification based on spectral similarity and spatial proximity. Classification accuracy using object-based methods show significant success and promise for numerous urban 3 applications. Like the object-oriented methods that recognize the importance of spatial proximity, geospatial methods for urban mapping also utilize neighboring pixels in the classification process. The primary difference though is that geostatistical methods (e.g., spatial autocorrelation methods) are utilized during both the pre- and post-classification steps. Within this chapter, each of the four approaches is described in terms of scale and accuracy classifying urban land use and urban land cover; and for its range of urban applications. We demonstrate the overview of four main classification groups in Figure 1 while Table 1 details the approaches with respect to classification requirements and procedures (e.g., reflectance conversion, steps before training sample selection, training samples, spatial approaches commonly used, classifiers, primary inputs for classification, output structures, number of output layers, and accuracy assessment). The chapter concludes with a brief summary of the methods reviewed and the challenges that remain in developing new classification methods for improving the efficiency and accuracy of mapping urban areas.
Myint, Soe W.↗
Uncertainty Models for the Hybrid Parametric Variation Method of Uncertainty Quantification; Analysis
There is some level of uncertainty in every finite element model (FEM), which flows to a level of uncertainty in predicted results. The purpose of uncertainty quantification (UQ) is to provide statistical bounds on prediction accuracy based on model uncertainty. This is distinct from model updating, which attempts to modify models to improve their accuracy. UQ does not improve the accuracy of models, but accepts that the models are inherently inaccurate and attempts to quantify the impact of that inaccuracy on predicted results. Previously, an alternate method for UQ, called the Hybrid Parametric Variation (HPV) method, was applied to Space Launch System (SLS) Hurty/Craig-Bampton (HCB) components to predict system-level statistics for launch vehicle attitude control transfer functions and core stage section loads due to buffet. The HPV method combines a parametric variation of the HCB fixed-interface (FI) modal frequencies with a nonparametric variation (NPV) method that randomly varies the HCB mass and stiffness matrices as Wishart random matrix distributions using random matrix theory (RMT). Alternatively, the most common method for modeling uncertainty in the structural dynamics community is a parametric approach, which varies physical parameters in the model. However, there are several disadvantages associated with the parametric method. Determining a reduced set of parameters that have a significant impact on the system response can be time consuming, and the selected parameter probability distributions are rarely reliably known. Therefore, in practice, the parameters are surrogates for the actual errors, and the link to parameter uncertainty is unknown. Another major drawback is that the uncertainty that can be represented is limited to the form of the nominal FEM. It is the experience of the authors that based on numerous aerospace programs, almost all FEM errors are in form rather than parameter values. This hypothesis is supported by the observation of the authors that it is almost never possible to ‘tune’ a FEM to match modal test results by only modifying model parameters. Model-form uncertainty cannot be directly represented by FEM input parameters nor included in a parametric approach. However, model-form uncertainty can be modeled using RMT, where a probability distribution is developed for the matrix ensemble of interest. The major advantage of the NPV method is that it covers errors in model form. The HPV method anchors uncertainty at the HCB component level to component modal test results by matching the HCB and test modes based on mode descriptions or other methods, and then applying differing levels of frequency variation. The specific variations depend on the confidence to which a component FEM has been validated through modal testing. The NPV method is layered on the frequency variation to match modal test self-orthogonality and cross-orthogonality (XO) results. Once the component uncertainty models are identified, they are assembled, and the uncertainty is propagated to the system level using a Monte Carlo (MC) analysis approach that generates statistics for system-level predictions This provides a UQ method that can be traced to test data, which can be updated as additional data and improved correlated models become available. The purpose of this paper is to collect and present all of the theory for HPV that has been previously published in reports and papers and to present examples of its application. Specifically, component uncertainty models based on the dispersion of corresponding mass and stiffness matrices using proposed test/analysis correlation metrics are investigated. The first example is purely academic so that the true answers are known, and the validity of the HPV method and the corresponding uncertainty models can be determined. The purpose of this paper is to collect and present all of the theory for HPV that has been previously published in reports and papers and to present examples of its application. Specifically, component uncertainty models based on the dispersion of corresponding mass and stiffness matrices using proposed test/analysis correlation metrics are investigated. The first example is purely academic so that the true answers are known, and the validity of the HPV method and the corresponding uncertainty models can be determined. The second example is an application to a component that is design specific to the SLS. Based on this work and other assessments, the HPV method provides another tool to the toolset used for complex system UQ analysis. From experience gathered to date using the HPV method, additional design specific applications must be investigated to provide further confidence in the validity of the HPV method of UQ analysis.
Uncertainty quantification↗
Methods for analysis of cracks in three-dimensional solids
Various analytical and numerical methods used to evaluate the stress intensity factors for cracks in three-dimensional (3-D) solids are reviewed. Classical exact solutions and many of the approximate methods used in 3-D analyses of cracks are reviewed. The exact solutions for embedded elliptic cracks in infinite solids are discussed. The approximate methods reviewed are the finite element methods, the boundary integral equation (BIE) method, the mixed methods (superposition of analytical and finite element method, stress difference method, discretization-error method, alternating method, finite element-alternating method), and the line-spring model. The finite element method with singularity elements is the most widely used method. The BIE method only needs modeling of the surfaces of the solid and so is gaining popularity. The line-spring model appears to be the quickest way to obtain good estimates of the stress intensity factors. The finite element-alternating method appears to yield the most accurate solution at the minimum cost.
Raju, I. S.↗
Multigrid Methods for Fully Implicit Oil Reservoir Simulation
In this paper we consider the simultaneous flow of oil and water in reservoir rock. This displacement process is modeled by two basic equations: the material balance or continuity equations and the equation of motion (Darcy's law). For the numerical solution of this system of nonlinear partial differential equations there are two approaches: the fully implicit or simultaneous solution method and the sequential solution method. In the sequential solution method the system of partial differential equations is manipulated to give an elliptic pressure equation and a hyperbolic (or parabolic) saturation equation. In the IMPES approach the pressure equation is first solved, using values for the saturation from the previous time level. Next the saturations are updated by some explicit time stepping method; this implies that the method is only conditionally stable. For the numerical solution of the linear, elliptic pressure equation multigrid methods have become an accepted technique. On the other hand, the fully implicit method is unconditionally stable, but it has the disadvantage that in every time step a large system of nonlinear algebraic equations has to be solved. The most time-consuming part of any fully implicit reservoir simulator is the solution of this large system of equations. Usually this is done by Newton's method. The resulting systems of linear equations are then either solved by a direct method or by some conjugate gradient type method. In this paper we consider the possibility of applying multigrid methods for the iterative solution of the systems of nonlinear equations. There are two ways of using multigrid for this job: either we use a nonlinear multigrid method or we use a linear multigrid method to deal with the linear systems that arise in Newton's method. So far only a few authors have reported on the use of multigrid methods for fully implicit simulations. Two-level FAS algorithm is presented for the black-oil equations, and linear multigrid for two-phase flow problems with strong heterogeneities and anisotropies is studied. Here we consider both possibilities. Moreover we present a novel way for constructing the coarse grid correction operator in linear multigrid algorithms. This approach has the advantage in that it preserves the sparsity pattern of the fine grid matrix and it can be extended to systems of equations in a straightforward manner. We compare the linear and nonlinear multigrid algorithms by means of a numerical experiment.
Molenaar, J.↗
Improved Collision-Detection Method for Robotic Manipulator
An improved method has been devised for the computational prediction of a collision between (1) a robotic manipulator and (2) another part of the robot or an external object in the vicinity of the robot. The method is intended to be used to test commanded manipulator trajectories in advance so that execution of the commands can be stopped before damage is done. The method involves utilization of both (1) mathematical models of the robot and its environment constructed manually prior to operation and (2) similar models constructed automatically from sensory data acquired during operation. The representation of objects in this method is simpler and more efficient (with respect to both computation time and computer memory), relative to the representations used in most prior methods. The present method was developed especially for use on a robotic land vehicle (rover) equipped with a manipulator arm and a vision system that includes stereoscopic electronic cameras. In this method, objects are represented and collisions detected by use of a previously developed technique known in the art as the method of oriented bounding boxes (OBBs). As the name of this technique indicates, an object is represented approximately, for computational purposes, by a box that encloses its outer boundary. Because many parts of a robotic manipulator are cylindrical, the OBB method has been extended in this method to enable the approximate representation of cylindrical parts by use of octagonal or other multiple-OBB assemblies denoted oriented bounding prisms (OBPs), as in the example of Figure 1. Unlike prior methods, the OBB/OBP method does not require any divisions or transcendental functions; this feature leads to greater robustness and numerical accuracy. The OBB/OBP method was selected for incorporation into the present method because it offers the best compromise between accuracy on the one hand and computational efficiency (and thus computational speed) on the other hand.
Leger, Chris↗
Improved accuracy for finite element structural analysis via a new integrated force method
A comparative study was carried out to determine the accuracy of finite element analyses based on the stiffness method, a mixed method, and the new integrated force and dual integrated force methods. The numerical results were obtained with the following software: MSC/NASTRAN and ASKA for the stiffness method; an MHOST implementation method for the mixed method; and GIFT for the integrated force methods. The results indicate that on an overall basis, the stiffness and mixed methods present some limitations. The stiffness method generally requires a large number of elements in the model to achieve acceptable accuracy. The MHOST method tends to achieve a higher degree of accuracy for course models than does the stiffness method implemented by MSC/NASTRAN and ASKA. The two integrated force methods, which bestow simultaneous emphasis on stress equilibrium and strain compatibility, yield accurate solutions with fewer elements in a model. The full potential of these new integrated force methods remains largely unexploited, and they hold the promise of spawning new finite element structural analysis tools.
Patnaik, Surya N.↗
Improved accuracy for finite element structural analysis via an integrated force method
A comparative study was carried out to determine the accuracy of finite element analyses based on the stiffness method, a mixed method, and the new integrated force and dual integrated force methods. The numerical results were obtained with the following software: MSC/NASTRAN and ASKA for the stiffness method; an MHOST implementation method for the mixed method; and GIFT for the integrated force methods. The results indicate that on an overall basis, the stiffness and mixed methods present some limitations. The stiffness method generally requires a large number of elements in the model to achieve acceptable accuracy. The MHOST method tends to achieve a higher degree of accuracy for course models than does the stiffness method implemented by MSC/NASTRAN and ASKA. The two integrated force methods, which bestow simultaneous emphasis on stress equilibrium and strain compatibility, yield accurate solutions with fewer elements in a model. The full potential of these new integrated force methods remains largely unexploited, and they hold the promise of spawning new finite element structural analysis tools.
Patnaik, S. N.↗
Investigation of computational and spectral analysis methods for aeroacoustic wave propagation
Most computational fluid dynamics (CFD) schemes are not adequately accurate for solving aeroacoustics problems, which have wave amplitudes several orders of magnitude smaller yet with frequencies larger than the flow field variations generating the sound. Hence, a computational aeroacoustics (CAA) algorithm should have minimal dispersion and dissipation features. A dispersion relation preserving (DRP) scheme is, therefore, applied to solve the linearized Euler equations in order to simulate the propagation of three types of waves, namely: acoustic, vorticity, and entropy waves. The scheme is derived using an optimization procedure to ensure that the numerical derivatives preserve the wave number and angular frequency of the partial differential equations being discretized. Consequently, simulated waves propagate with the correct wave speeds and exhibit their appropriate properties. A set of radiation and outflow boundary conditions, compatible with the DRP scheme and derived from the asymptotic solutions of the governing equations, are also implemented. Numerical simulations are performed to test the effectiveness of the DRP scheme and its boundary conditions. The computed solutions are shown to agree favorably with the exact solutions. The major restriction appears to be that the dispersion relations can be preserved only for waves with wave lengths longer than four or five spacings. The boundary conditions are found to be transparent to the outgoing disturbances. However, when the disturbance source is placed closer to a boundary, small acoustic reflections start appearing. CAA generates enormous amounts of temporal data which needs to be reduced to understand the physical problem being simulated. Spectral analysis is one approach that helps us in extracting information which often can not be easily interpreted in the time domain. Thus, three different methods for the spectral analysis of numerically generated aeroacoustic data are studied. First, the capabilities of two traditional methods for spectral analysis, namely, the Blackman-Tukey method and periodogram method, are compared in estimating the spectra of a simple-periodic process. The periodogram is then applied to analyze transitory-deterministic processes. Finally, these two methods are compared with a more recent method, referred as the Weighted-Overlapped-Segment-Averaging (WOSA) method, in estimating the spectra of a chaotic (random-like) process. From the demonstrative case for the spectral analyses of data generated by simple-periodic process, the periodogram method is found to give a better estimate of the steep-sloped spectra than the Blackman-Tukey method. Also, for this problem, the Hanning window is found to perform better with the periodogram method than with the Blackman-Tukey method. Finally, for the spectral analysis of data generated by the chaotic process, the periodogram method does not perform well, whereas, the WOSA and Blackman-Tukey methods give equivalently good results.
Vanel, Florence O.↗
Further evaluation of traditional icing scaling methods
This report provides additional evaluations of two methods to scale icing test conditions; it also describes a hybrid technique for use when scaled conditions are outside the operating envelope of the test facility. The first evaluation is of the Olsen method which can be used to scale the liquid-water content in icing tests, and the second is the AEDC (Ruff) method which is used when the test model is less than full size. Equations for both scaling methods are presented in the paper, and the methods were evaluated by performing icing tests in the NASA Lewis Icing Research Tunnel (IRT). The Olsen method was tested using 53 cm diameter NACA 0012 airfoils. Tests covered liquid-water-contents which varied by as much as a factor of 1.8. The Olsen method was generally effective in giving scale ice shapes which matched the reference shapes for these tests. The AEDC method was tested with NACA 0012 airfoils with chords from 18 cm to 53 cm. The 53 cm chord airfoils were used in reference tests, and 1/2 and 1/3 scale tests were made at conditions determined by applying the AEDC scaling method. The scale and reference airspeeds were matched in these tests. The AEDC method was found to provide fairly effective scaling for 1/2 size tests, but for 1/3 size models, scaling was generally less effective. In addition to these two scaling methods, a hybrid approach was also tested in which the Olsen method was used to adjust the LWC after size was scaled using the constant Weber number method. This approach was found to be an effective way to test when scaled conditions would otherwise be outside the capability of the test facility.
Anderson, David N.↗
Modified Fully Utilized Design (MFUD) Method for Stress and Displacement Constraints
The traditional fully stressed method performs satisfactorily for stress-limited structural design. When this method is extended to include displacement limitations in addition to stress constraints, it is known as the fully utilized design (FUD). Typically, the FUD produces an overdesign, which is the primary limitation of this otherwise elegant method. We have modified FUD in an attempt to alleviate the limitation. This new method, called the modified fully utilized design (MFUD) method, has been tested successfully on a number of designs that were subjected to multiple loads and had both stress and displacement constraints. The solutions obtained with MFUD compare favorably with the optimum results that can be generated by using nonlinear mathematical programming techniques. The MFUD method appears to have alleviated the overdesign condition and offers the simplicity of a direct, fully stressed type of design method that is distinctly different from optimization and optimality criteria formulations. The MFUD method is being developed for practicing engineers who favor traditional design methods rather than methods based on advanced calculus and nonlinear mathematical programming techniques. The Integrated Force Method (IFM) was found to be the appropriate analysis tool in the development of the MFUD method. In this paper, the MFUD method and its optimality are presented along with a number of illustrative examples.
Patnaik, Surya↗
Bounding Methods for Heterogeneous Lidar-derived Navigational Geofences
Safe Unmanned Aerial Vehicle (UAV) operations near the ground require navigation methods that avoid fixed obstacles such as buildings, power lines and trees. Aerial lidar surveys of ground structures are available with the precision and accuracy to geolocate obstacles, but the high volume of raw survey data can exceed the compute power of onboard processors and the rendering ability of ground-based flight planning maps. Representing ground structures with bounding polyhedra instead of point clouds greatly reduces the data size and can enable effective obstacle avoidance, as long as the bounding geometry envelopes the structures with high spatial fidelity. This report describes in detail four methods to compute bounding geometries of ground obstacles from lidar point clouds. The four methods are: 1) 2.5D Maximum Elevation Box, 2) 2.5D Ground Map Extrusion, 3) 3D Bounding Cylinder, and 4) 3D Bounding Box. The methods are applied to five point cloud datasets from lidar surveys of UAV flight research sites in Georgia and Virginia with an average point spacing that ranges from 0.1m to 0.6m. The methods are assessed using survey areas with geometrically heterogeneous ground structures: buildings, vegetation, power lines, and sub-meter structures such as road signs and guy wires. The 2.5D Maximum Elevation Box method is useful for simple structures. The 2.5D Ground Map Extrusion method efficiently encloses vegetation, but requires handdrawn ground footprints. The 3D Bounding Cylinder method excels at enclosing linear structures such as power lines and fences. The 3D Bounding Box method excels at enclosing planar structures such as buildings. The methods are compared on the basis of data compression and boundary fidelity on selected areas. The 2.5D methods yield the highest data compression but the polyhedra produced by them enclose significant amounts of empty space. Boundary fidelity is superior for the 3D methods, though this fidelity comes at the cost of a roughly thirtyfold lower data compression ratio than the 2.5D Maximum Elevation Box method. A mix of these output geometries is proposed for autonomous UAV navigation with limited on-board computing. Both the accuracy and spatial detail of emerging satellite-based survey technology lower than that of aerial lidar scanning survey technology. Sub-meter structures and thin linear structures are not reliably mapped at present by satellite-based surveys.
Moore, Andrew J.↗
A Particle-in-Cell Method for Plasmas with a Generalized Momentum Formulation, Part I: Model Formulation
Here, this paper formulates a new particle-in-cell method for the Vlasov–Maxwell system. Under the Lorenz gauge condition, Maxwell’s equations for the electromagnetic fields can be written as a collection of scalar and vector wave equations. The use of potentials for the fields motivates the adoption of a Hamiltonian formulation for particles that employs the generalized (conjugate) momentum. A notable advantage offered by the Hamiltonian formulation is the elimination of time derivatives in the Lorenz gauge formulation that are required by the standard Newton–Lorentz treatment of the particles. This allows the fields to retain the full time-accuracy guaranteed by the field solver. The resulting updates for particles require only knowledge of the fields and their spatial derivatives. An analytical method for constructing these spatial derivatives is presented that exploits the underlying integral solution used in the field solver for the wave equations. Moreover, these derivatives are demonstrated to converge at the same rate as the fields in both time and space. The Method of Lines Transpose field solver we consider in this work is globally first-order accurate in time and high-order accurate in space (e.g., fourth- and fifth-order) and belongs to a larger class of methods which are unconditionally stable, can address geometry, and leverage $\mathcal {O}(N)$ fast summation methods for efficiency. We demonstrate the method on several well-established benchmark problems on bounded domains, including a plasma sheath as well as a relativistic particle beam. The efficacy of the proposed formulation is established by comparing with a second-order accurate finite-difference time-domain method that employs a leapfrog time advance for particles and a charge conserving map suitable for bounded domains. The new method shows mesh-independent numerical heating properties even in cases where the plasma Debye length is smaller than the grid spacing. This is an important feature of the new method for problems defined on bounded domains, because it permits the use of coarser grids in space in the representation of the fields. Such a capability has significant implications for the simulation of plasmas in bounded domains with complex geometry, where the ratio between the largest and smallest cells can vary significantly. The use of high-order spatial approximations in the new method also means that fewer grid points are required in order to achieve a fixed accuracy. Our results also suggest that the new method can be used with fewer simulation particles per cell compared to the benchmark explicit method, which permits further computational savings.
97 MATHEMATICS AND COMPUTING↗
Determination of a suitable molar absorption coefficient (ε) for lignin analysis of fibrous plants using the CASA method
In this study, the benchmarking and applicability of the CASA method for the analysis of fibrous plants, such as flax, hemp, and jute, is evaluated. Lignin is a phenolic biopolymer present in plant cell walls and is composed of three primary monomeric units, designated G, S, and H. Various factors, such as the genetic variability, influence the relative proportions of these units in plant samples. Recently, the cysteine-assisted sulfuric acid (CASA) method has been introduced as a rapid method for the quantification of lignin in wood samples. The aim of this study is to establish a suitable molar absorption coefficient (ε, L·g –1 ·cm –1 ) to adapt the CASA method for use with annual plant fibers. This investigation was motivated by the technical advantages of the CASA method, including higher throughput, lower reaction temperatures, and ecological benefits due to the absence of carcinogenic, mutagenic, or reprotoxic (CMR) substances and the need for minimal sample quantities. In this method, lignin solubilization is facilitated by cysteine, which is an amino acid that enhances the reaction kinetics, using a one-hour incubation period. However, as with any spectrophotometric technique, the CASA method depends on a molar absorption coefficient (ε) that varies according to the ratio of the aromatic units within the polymer. To evaluate the suitability of CASA for quantifying lignin in economically significant plant fibers, we investigate the impact of the unit ratios on the accuracy of ε. The results are compared with those of two widely recognized lignin analytical methods: the Klason method, which is a gravimetric reference method, and the acetyl bromide soluble lignin method, which is the most commonly used spectrophotometric approach. The final ε obtained in this study reveals a relative difference in lignin content ranging from –8 % to +9 % based on a comparison between the CASA and Klason methods across different industrial hemp varieties. As a result, using known G:S ratios in annual fibrous plants, ε can be estimated from our results.
59 BASIC BIOLOGICAL SCIENCES↗