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At least 325 records · Page 18

Some Advanced Concepts in Discrete Aerodynamic Sensitivity Analysis

An efficient incremental-iterative approach for differentiating advanced flow codes is successfully demonstrated on a 2D inviscid model problem. The method employs the reverse-mode capability of the automatic- differentiation software tool ADIFOR 3.0, and is proven to yield accurate first-order aerodynamic sensitivity derivatives. A substantial reduction in CPU time and computer memory is demonstrated in comparison with results from a straight-forward, black-box reverse- mode application of ADIFOR 3.0 to the same flow code. An ADIFOR-assisted procedure for accurate second-order aerodynamic sensitivity derivatives is successfully verified on an inviscid transonic lifting airfoil example problem. The method requires that first-order derivatives are calculated first using both the forward (direct) and reverse (adjoint) procedures; then, a very efficient non-iterative calculation of all second-order derivatives can be accomplished. Accurate second derivatives (i.e., the complete Hessian matrices) of lift, wave-drag, and pitching-moment coefficients are calculated with respect to geometric- shape, angle-of-attack, and freestream Mach number

Taylor, Arthur C., III↗

Thermodynamics of Gas Turbine Cycles with Analytic Derivatives in OpenMDAO

A new equilibrium thermodynamics analysis tool was built based on the CEA method using the OpenMDAO framework. The new tool provides forward and adjoint analytic derivatives for use with gradient based optimization algorithms. The new tool was validated against the original CEA code to ensure an accurate analysis and the analytic derivatives were validated against finite-difference approximations. Performance comparisons between analytic and finite difference methods showed a significant speed advantage for the analytic methods. To further test the new analysis tool, a sample optimization was performed to find the optimal air-fuel equivalence ratio, , maximizing combustion temperature for a range of different pressures. Collectively, the results demonstrate the viability of the new tool to serve as the thermodynamic backbone for future work on a full propulsion modeling tool.

Propulsion↗

Differentiable programming for online training of a neural artificial viscosity function within a staggered grid Lagrangian hydrodynamics scheme

Lagrangian methods to solve the inviscid Euler equations produce numerical oscillations near shock waves. A common approach to reducing these oscillations is to add artificial viscosity (AV) to the discrete equations. The AV term acts as a dissipative mechanism that attenuates oscillations by smearing the shock across a finite number of computational cells. However, AV introduces several control parameters that are not determined by the underlying physical model, and hence, in practice are tuned to the characteristics of a given problem. We seek to improve the standard quadratic-linear AV form by replacing it with a learned neural function that reduces oscillations relative to exact solutions of the Euler equations, resulting in a hybrid numerical-neural hydrodynamic solver. Because AV is an artificial construct that exists solely to improve the numerical properties of a hydrodynamic code, there is no offline ‘viscosity data’ against which a neural network can be trained before inserting into a numerical simulation, thus requiring online training. We achieve this via differentiable programming, i.e. end-to-end backpropagation or adjoint solution through both the neural and differential equation code, using automatic differentiation of the hybrid code in the Julia programming language to calculate the necessary loss function gradients. A novel offline pre-training step accelerates training by initializing the neural network to the default numerical AV scheme, which can be learned rapidly by space-filling sampling over the AV input space. We find that online training over early time steps of simulation is sufficient to learn a neural AV function that reduces numerical oscillations in long-term hydrodynamic shock simulations. These results offer an early proof-of-principle that online differentiable training of hybrid numerical schemes with novel neural network components can improve certain performance aspects existing in purely numerical schemes.

97 MATHEMATICS AND COMPUTING↗

Viscous Aerodynamic Shape Optimization with Installed Propulsion Effects

Aerodynamic shape optimization is demonstrated to tailor the under-track pressure signature of a conceptual low-boom supersonic aircraft. Primarily, the optimization reduces nearfield pressure waveforms induced by propulsion integration effects. For computational efficiency, gradient-based optimization is used and coupled to the discrete adjoint formulation of the Reynolds-averaged Navier Stokes equations. The engine outer nacelle, nozzle, and vertical tail fairing are axi-symmetrically parameterized, while the horizontal tail is shaped using a wing-based parameterization. Overall, 48 design variables are coupled to the geometry and used to deform the outer mold line. During the design process, an inequality drag constraint is enforced to avoid major compromise in aerodynamic performance. Linear elastic mesh morphing is used to deform volume grids between design iterations. The optimization is performed at Mach 1.6 cruise, assuming standard day altitude conditions at 51,707-ft. To reduce uncertainty, a coupled thermodynamic engine cycle model is employed that captures installed inlet performance effects on engine operation.

computational fluid dynamics↗

Aerodynamic Shape Optimization Benchmarks with Error Control and Automatic Parameterization

Results are presented for four optimization benchmark problems posed by the AIAA Aerodynamic Design Optimization Discussion Group. The benchmarks are intended to exercise optimization frameworks on representative airfoil and wing design problems. All problems involve drag minimization subject to geometric and aerodynamic constraints. Our design approach involves two forms of adaptation. First, the shape parameterization is gradually and automatically enriched from an initially coarse search space. Second, adjoint solutions are used to drive adaptive mesh refinement to control discretization error. The error threshold is tailored so that the nest meshes, with the greatest accuracy, are used only when nearing the optimum. On the inviscid airfoil design problem, while reducing the drag by a factor of 10, we show how the combination of progressive parameterization and tiered discretization error control can dramatically accelerate the optimization. On the viscous airfoil design problem, we use inviscid analysis-driven optimization to reduce the total drag by a factor of two. Next, we improve the span efficiency factor of a wing by performing twist optimization. Finally, we optimize the Common Research Model wing, managing to hold drag roughly fixed, while targeting an initially-violated pitching moment constraint. Our approach aims to introduce greater complexity and accuracy only when necessary to improve the design, and also support a greater degree of automation.

Anderson, George R.↗

Aerostructural Level Set Topology Optimization for a Common Research Model Wing

The purpose of this work is to use level set topology optimization to improve the design of a representative wing box structure for the NASA common research model. The objective is to minimize the total compliance of the structure under aerodynamic and body force loading, where the aerodynamic loading is coupled to the structural deformation. A taxi bump case was also considered, where only body force loads were applied. The trim condition that aerodynamic lift must balance the total weight of the aircraft is enforced by allowing the root angle of attack to change. The level set optimization method is implemented on an unstructured three-dimensional grid, so that the method can optimize a wing box with arbitrary geometry. Fast matching and upwind schemes are developed for an unstructured grid, which make the level set method robust and efficient. The adjoint method is used to obtain the coupled shape sensitivities required to perform aerostructural optimization of the wing box structure.

Dunning, Peter D.↗

Quandary

Quandary numerically simulates and optimizes the time-evolution of open quantum systems. The underlying dynamics are modelled by Lindblad's master equation, a linear ordinary differential equation (ODE) describing quantum systems interacting with the environment. Quandary solves this ODE numerically by applying a time-stepping integration scheme, and utilizes a gradient-based optimization approach to determine optimal control pulses that drive the quantum system to a desired target state. Two optimization objectives are considered: (a) Unitary gate optimization that finds controls to realize a unitary gate transformation, and (b) optimal reset that aims to drive the quantum system to the ground states. Gradient-based optimization schemes utilizing Petsc's Tao optimization package are applied to generate control pulses that minimize the respective measure. To evaluate the gradient of the objective function, the discrete adjoint method is used while leveraging techniques from Algorithmic Differentiation to produce exact and consistent gradients. To mitigate excessive execution run times, the software can be build together with the XBraid software library which provides a parallelization strategy to distribute the time-evolution of the underlying dynamics onto multiple processor.

Petersson, NilsA.↗

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↗

Global Environmental Impact of Supersonic Cruise Aircraft in the Stratosphere

We analyze the climate and ozone impacts of commercial supersonic aircraft using state-of-the-science modeling capabilities ranging from plume to global scale. A scenario-based approach captures variability and uncertainty in the impacts with market adoption, aircraft design choices and regulatory scenarios, focusing on different overland flight restrictions. We find that the notional aircraft considered could attract a market of up to 2.5% of year-2035 seat-kilometers. Overland flight restrictions reduce this market by 80–100%. In comparison to subsonic aircraft, contrails are found to be∼10 times less likely to form behind supersonic jets. A Mach 1.6 jet cruising at 17 km altitude causes 0.85 mDU of depletion per billion seat-km, with 54% of this impact attributable to sulfur emissions and 35% to NOx emissions. Asa result, we find a net non-CO2, non-contrail radiative forcing of−0.020 mW m−2per billion seat-km. Long-term adjoint simulations show that net ozone-neutral cruise can be achieved by flying near 14 km, subject to fuel sulfur content and NOx emissions index.

supersonic, Stratosphere, environment↗

Global Environmental Impact of Supersonic Cruise Aircraft in the Stratosphere

We analyze the climate and ozone impacts of commercial supersonic aircraft using state-of-the-science modeling capabilities ranging from plume to global scale. A scenario-based approach captures variability and uncertainty in the impacts with market adoption, aircraft design choices and regulatory scenarios, focusing on different overland flight restrictions. We find that the notional aircraft considered could attract a market of up to 2.5% of year-2035 seat-kilometers. Overland flight restrictions reduce this market by 80–100%. In comparison to subsonic aircraft, contrails are found to be ∼ 10 times less likely to form behind supersonic jets. A Mach 1.6 jet cruising at 17 km altitude causes 0.85 mDU of depletion per billion seat-km, with 54% of this impact attributable to sulfur emissions and 35% to NOx emissions. As a result, we find a net non-CO2, non-contrail radiative forcing of −0.020mWm−2 per billion seat-km. Long-term adjoint simulations show that net ozone-neutral cruise can be achieved by flying near 14 km, subject to fuel sulfur content and NOx emissions index.

Raymond L Speth↗

Photon detector response function methodology using MCNP and shift hybrid radiation transport code for wide-area contamination assay applications

Here, radiation transport modeling using the Monte Carlo N-Particle (MCNP) radiation transport code and Monte Carlo code, Shift, were employed to model detector responses for a variety of wide-area photon contamination scenarios. In this study, 2" × 2" and 3" × 3" cylindrical NaI(Tl) scintillation detector configurations at source detector-distances of 0.5 cm, 1 cm, 2.54 cm, 10 cm, and 30 cm were modeled. Media of soil, concrete, and steel were evaluated for contamination depths ranging from surface to a depth of an infinite thickness in each medium for photon energies ranging from 20 keV to 3 MeV, which correspond to the energies that current detectors can discern. Monoenergetic photon surface contamination detector responses for each of the media, source–detector distances, and detectors were estimated using MCNP v6.2. Shift was harnessed for improved variance reduction of particle transport in highly attenuating media to obtain average cell fluxes in the two MCNP NaI(Tl) scintillation detector configurations. Average cell flux values in Shift were coupled with detector responses from MCNP to convert average cell flux in a void to energy distribution of pulses in the NaI(Tl) scintillation detector crystal of interest. An optimized detector response function methodology was developed by coupling the MCNP radiation transport method with the Consistent Adjoint Driven Importance Sampling (CADIS) hybrid radiation transport method built into Shift to significantly decrease the runtime of thousands of MCNP pulse height simulations. The methodology may be utilized to quickly and accurately facilitate the assessment of a broad range of wide-area environmental contamination assay and decommissioning cleanup applications.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Modified instanton sum in QCD and higher-groups

We consider the SU(N) Yang-Mills theory, whose topological sectors are restricted to the instanton number with integer multiples of p. We can formulate such a quantum field theory maintaining locality and unitarity, and the model contains both 2π-periodic scalar and 3-form gauge fields. This can be interpreted as coupling a topological theory to Yang-Mills theory, so the local dynamics becomes identical with that of pure Yang-Mills theory. The theory has not only $\mathbb{Z}$ N 1-form symmetry but also $\mathbb{Z}$ p 3-form symmetry, and we study the global nature of this theory from the recent ’t Hooft anomaly matching. The computation of ’t Hooft anomaly incorporates an intriguing higher-group structure. We also carefully examine that how such kinematical constraint is realized in the dynamics by using the large-N and also the reliable semiclassics on $\mathbb{R}$ 3 × S 1 , and we find that the topological susceptibility plays a role of the order parameter for the $\mathbb{Z}$ p 3-form symmetry. Introducing a fermion in the fundamental or adjoint representation, we find that the chiral symmetry becomes larger than the usual case by $\mathbb{Z}$ p , and it leads to the extra p vacua by discrete chiral symmetry breaking. No dynamical domain wall can interpolate those extra vacua since such objects must be charged under the 3-form symmetry in order to match the ’t Hooft anomaly.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Green's formula and variational principles for cosmic-ray transport with application to rotating and shearing flows

Green's theorem and Green's formula for the diffusive cosmic-ray transport equation in relativistic flows are derived. Green's formula gives the solution of the transport equation in terms of the Green's function of the adjoint transport equation, and in terms of distributed sources throughout the region R of interest, plus terms involving the particle intensity and streaming on the boundary. The adjoint transport equation describes the time-reversed particle transport. An Euler-Lagrange variational principle is then obtained for both the mean scattering frame distribution function f, and its adjoint f(dagger). Variations of the variational functional with respect to f(dagger) yield the transport equation, whereas variations of f yield the adjoint transport equation. The variational principle, when combined with Noether's theorem, yields the conservation law associated with Green's theorem. An investigation of the transport equation for steady, azimuthal, rotating flows suggests the introduction of a new independent variable H to replace the comoving frame momentum variable p'. For the case of rigid rotating flows, H is conserved and is shown to be analogous to the Hamiltonian for a bead on a rigidly rotating wire. The variable H corresponds to a balance between the centrifugal force and the particle inertia in the rotating frame. The physical interpretation of H includes a discussion of nonrelativistic and special relativistic rotating flows as well as the cases of aziuthal, differentially rotating flows about Schwarzs-child and Kerr black holes. Green's formula is then applied to the problem of the acceleration of ultra-high-energy cosmic rays by galactic rotation. The model for galactic rotation assumes an angular velocity law Omega = Omega(sub 0)(omega(sub 0)/omega), where omega denotes radial distance from the axis of rotation. Green's functions for the galactic rotation problem are used to investigate the spectrum of accelerated particles arising from monoenergetic and truncated power-law sources. We conclude that it is possible to accelerate particles beyond the knee by galactic rotation, but not in sufficient number to adequately explain the observed spectrum.

Webb, G. M.↗

Radiation Dose Modeling for Niowave’s Accelerator Driven Uranium Target Assembly 3

Molybdenum-99 is a high-value radionuclide commonly used for medical purposes within the United States. The National Nuclear Security Administration (NNSA) seeks to reliably produce the radioisotope 99 Mo without the use of highly enriched uranium. NNSA’s Office of Material Management and Minimization (M3) provides funding and government laboratory expertise to private companies to expedite the production process domestically and currently funds designs that use low-enriched uranium or other 99 Mo production pathways. Several production designs are being explored across the industry, including uranium fission and photonuclear conversion of 100 Mo targets. Niowave Inc. seeks to produce 99 Mo via a high-energy electron accelerator that strikes a lead-bismuth eutectic target that ultimately produces a consistent neutron flux. The neutron flux then interacts in a subcritical reactor core configuration to produce fission in low-enriched or natural uranium targets. These fissionable targets are then processed to extract 99 Mo. The purpose of this work is to estimate the neutron and photon dose response across Niowave’s proposed facility for worker safety during operation. Owing to the size of the proposed Niowave facility and necessary shielding, unbiased Monte Carlo radiation transport is impractical, and variance reduction methods are required. This work focuses on the weight window variance reduction method to produce high confidence dose response results within a Monte Carlo radiation transport code. Specifically, an adjoint-informed weight window methodology was created to improve the dose response estimates for accelerator-driven subcritical reactor designs. This adjoint-informed methodology was implemented for Niowave’s proposed design and improved dose results at far-field locations across the facility. Acceptable dose rate contours for the proposed facility were generated across the facility and are presented in this work.

07 ISOTOPE AND RADIATION SOURCES↗

Ames Optimized TCA Configuration

Configuration design at Ames was carried out with the SYN87-SB (single block) Euler code using a 193 x 49 x 65 C-H grid. The Euler solver is coupled to the constrained (NPSOL) and the unconstrained (QNMDIF) optimization packages. Since the single block grid is able to model only wing-body configurations, the nacelle/diverter effects were included in the optimization process by SYN87's option to superimpose the nacelle/diverter interference pressures on the wing. These interference pressures were calculated using the AIRPLANE code. AIRPLANE is an Euler solver that uses a unstructured tetrahedral mesh and is capable of computations about arbitrary complete configurations. In addition, the buoyancy effects of the nacelle/diverters were also included in the design process by imposing the pressure field obtained during the design process onto the triangulated surfaces of the nacelle/diverter mesh generated by AIRPLANE. The interference pressures and nacelle buoyancy effects are added to the final forces after each flow field calculation. Full details of the (recently enhanced) ghost nacelle capability are given in a related talk. The pseudo nacelle corrections were greatly improved during this design cycle. During the Ref H and Cycle 1 design activities, the nacelles were only translated and pitched. In the cycle 2 design effort the nacelles can translate vertically, and pitch to accommodate the changes in the lower surface geometry. The diverter heights (between their leading and trailing edges) were modified during design as the shape of the lower wing changed, with the drag of the diverter changing accordingly. Both adjoint and finite difference gradients were used during optimization. The adjoint-based gradients were found to give good direction in the design space for configurations near the starting point, but as the design approached a minimum, the finite difference gradients were found to be more accurate. Use of finite difference gradients was limited by the CPU time limit available on the Cray machines. A typical optimization run using finite difference gradients can use only 30 to 40 design variables and one optimization iteration within the 8 hour queue limit for the chosen grid size and convergence level. The efficiency afforded by the adjoint method allowed for 50-120 design variables and 5-10 optimization iterations in the 8 hour queue. Geometric perturbations to the wing and fuselage were made using the Hicks/Henne (HH) shape functions. The HH functions were distributed uniformly along the chords of the wing defining sections and lofted linearly. During single-surface design, constraints on thickness and volume at selected wing stations were imposed. Both fuselage camber and cross-sectional area distributions were permitted to change during design. The major disadvantage to the use of these functions is the inherent surface waviness produced by repeated use of such functions. Many smoothing operations were required following optimization runs to produce a configuration with reasonable smoothness. Wagner functions were also used on the wing sections but were never used on the fuselage. The Wagner functions are a family of increasingly oscillatory functions that have also been used extensively in airfoil design. The leading and trailing edge regions of the wing were designed by use of polynomial and monomial functions respectively. Twist was attempted but was abandoned because of little performance improvement available from changing the baseline twist.

Cliff, Susan E.↗

Multidisciplinary Modeling Software for Analysis, Design, and Optimization of HRRLS Vehicles

The concept for Highly Reliable Reusable Launch Systems (HRRLS) under the NASA Hypersonics project is a two-stage-to-orbit, horizontal-take-off / horizontal-landing, (HTHL) architecture with an air-breathing first stage. The first stage vehicle is a slender body with an air-breathing propulsion system that is highly integrated with the airframe. The light weight slender body will deflect significantly during flight. This global deflection affects the flow over the vehicle and into the engine and thus the loads and moments on the vehicle. High-fidelity multi-disciplinary analyses that accounts for these fluid-structures-thermal interactions are required to accurately predict the vehicle loads and resultant response. These predictions of vehicle response to multi physics loads, calculated with fluid-structural-thermal interaction, are required in order to optimize the vehicle design over its full operating range. This contract with ResearchSouth addresses one of the primary objectives of the Vehicle Technology Integration (VTI) discipline: the development of high-fidelity multi-disciplinary analysis and optimization methods and tools for HRRLS vehicles. The primary goal of this effort is the development of an integrated software system that can be used for full-vehicle optimization. This goal was accomplished by: 1) integrating the master code, FEMAP, into the multidiscipline software network to direct the coupling to assure accurate fluid-structure-thermal interaction solutions; 2) loosely-coupling the Euler flow solver FEFLO to the available and proven aeroelasticity and large deformation (FEAP) code; 3) providing a coupled Euler-boundary layer capability for rapid viscous flow simulation; 4) developing and implementing improved Euler/RANS algorithms into the FEFLO CFD code to provide accurate shock capturing, skin friction, and heat-transfer predictions for HRRLS vehicles in hypersonic flow, 5) performing a Reynolds-averaged Navier-Stokes computation on an HRRLS configuration; 6) integrating the RANS solver with the FEAP code for coupled fluid-structure-thermal capability; and 7) integrating the existing NASA SRGULL propulsion flow path prediction software with the FEFLO software for quasi-3D propulsion flow path predictions, 8) improving and integrating into the network, an existing adjoint-based design optimization code.

Spradley, Lawrence W.↗

Statistical Treatment of Inverse Problems Constrained by Differential Equations-based Models with Stochastic Terms

This paper introduces a statistical treatment of inverse problems constrained by models with stochastic terms. The solution of the forward problem is given by a distribution represented numerically by an ensemble of simulations. The goal is to formulate the inverse problem, in particular the objective function, to find the closest forward distribution (i.e., the output of the stochastic forward problem) that best explains the distribution of the observations in a certain metric. We use proper scoring rules, a concept employed in statistical forecast verification, namely energy, variogram, and hybrid (i.e., combination of the two) scores. We study the performance of the proposed formulation in the context of two applications: a coefficient field inversion for subsurface flow governed by an elliptic partial differential equation with a stochastic source and a parameter inversion for power grid governed by differential-algebraic equations. In both cases we show that the variogram and the hybrid scores produce better parameter inversion results than does the energy score, whereas the energy score leads to better probabilistic predictions.

97 MATHEMATICS AND COMPUTING↗

The Impulse Approximation Scattering Function and Its Use in Monte Carlo Photon Transport Simulations

The viability of using the impulse approximation scattering function in Monte Carlo photon transport simulations is explored. This scattering function can be constructed from the double differential incoherent scattering cross section developed by Ribberfors and Berggren. A commonly used method for modeling photon Doppler broadening, which is referred to as the hybrid Doppler broadening method, can also be derived from this cross section. A new photon Doppler broadening method, called the consistent Doppler broadening method, is derived and discussed. This method eliminates some of the commonly employed approximations in the hybrid Doppler broadening method, in part, by using the impulse approximation scattering function. Integrated incoherent cross sections generated using the impulse approximation scattering function and the widely used Waller-Hartree scattering function are in good agreement above 20 keV. Below 20 keV, differences as high as 70% are observed, which differs from the roughly 5% differences observed by Ribberfors for some of the materials. Integral and spectral quantities for two problems are also generated using the Monte Carlo photon transport capabilities of the Framework for REsearch in Nuclear ScIence and Engineering (FRENSIE). Due to the small, relative result differences observed when using the impulse approximation scattering function, it is considered a viable alternative to the Waller-Hartree scattering function. In addition, some small, but expected, differences in spectral fluxes at low energies can be avoided by adopting the consistent Doppler broadening method.

42 ENGINEERING↗