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At least 1,423 records · Page 79

Analysis of Rapidly Developing Low Cloud Ceilings in a Stable Environment

Forecasters at the Space Meteorology Group (SMG) issue 30 to 90 minute forecasts for low cloud ceilings at the Space Shuttle Landing Facility (TTS) to support Space Shuttle landings. Mission verification statistics have shown ceilings to be the number one forecast challenge for SMG. More specifically, forecasters at SMG are concerned with any rapidly developing clouds/ceilings below 8000 ft in a stable, capped thermodynamic environment. Therefore, the Applied Meteorology Unit (AMU) was tasked to examine archived events of rapid stable cloud formation resulting in ceilings below 8000 ft, and document the atmospheric regimes favoring this type of cloud development. The AMU examined the cool season months of November to March during the years of 1993-2003 for days that had low-level inversions and rapid, stable low cloud formation that resulted in ceilings violating the Space Shuttle Flight Rules. The AMU wrote and modified existing code to identify inversions from the morning (-10 UTC) Cape Canaveral, FL rawinsonde (XMR) during the cool season and output pertinent sounding information. They parsed all days with cloud ceilings below 8000 ft at TTS, forming a database of possible rapidly-developing low ceiling events. Days with precipitation or noticeable fog burn-off situations were excluded from the database. In the first phase of this work, only the daytime hours were examined for possible ceiling development events since low clouds are easier to diagnose with visible satellite imagery. Phase II of this work includes expanding the database to include nighttime cases which is underway as this abstract is being written. For the nighttime cases, the AMU will analyze both the 00 UTC soundings and the 10 UTC soundings to examine those data for the presence of a low-level inversion. The 00 UTC soundings will probably not have a surface-based inversion, but the presence of inversions or "neutral" layers aloft and below 8,000 ft will most likely help define the stable regime, being a thermodynamically "capped" environment. Occurrences of elevated low-level inversions or stable layers will be highlighted in conjunction with nights that experienced a possible development or onset of cloud ceilings below 8,000 ft. Using these criteria to narrow down the database, the AMU will then use archived IR satellite imagery for these possible events. This presentation summarizes the composite meteorological conditions for 20 daytime event days with rapid low cloud ceiling formation and 48 non-events days consisting of advection or widespread low cloud ceilings and describes two sample cases of daytime rapidly-developing low cloud ceilings. The authors will also summarize the work from the nighttime cases and describe a representative sample case from this data set.

Bauman, William H., III↗

Verification of an improved equation-free projective integration method for neoclassical plasma-profile evolution in tokamak geometry

A brute-force, long-time gyrokinetic simulation of plasma profile evolution in magnetic fusion devices is not desirable due to large computational resource requirements and a possible accumulation of numerical error. The equation-free projective integration method of Keverekidis et al. [Commun. Math. Sci. 1(4), 715–762 (2003)] is one of the outstanding candidates in projecting micro-scale simulations to a longer timescale. However, its application to tokamak plasma has not been fruitful due to the appearance of spurious transient oscillations in the lifting process, which are present when the kinetic simulations are initialized with a simplified model distribution function and which make the kinetic simulations to deviate from the desired paths. In this work, a kinetically informed lifting algorithm is added to the equation-free projective integration method, which is then verified in the electrostatic gyrokinetic particle-in-cell code XGCa [R. Hager and C. S. Chang, Phys. Plasmas 23, 042503 (2016)] for a neoclassical ion heat transport problem with adiabatic electrons. This new lifting operator is demonstrated to control spurious transients, enabling an over four-times reduction in the overall computing time in the time-evolution of the ion temperature profile in an axisymmetric toroidal plasma. Further reduction in the computing time is found to be limited due to the stability properties of the linear least squares projective integrator.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Sorption Modeling and Verification for Off-Gas Treatment

This project was successfully executed to provide valuable adsorption data and improve a comprehensive model developed in previous work by the authors. Data obtained were used in an integrated computer program to predict the behavior of adsorption columns. The model is supported by experimental data and has been shown to predict capture of off gas similar to that evolving during the reprocessing of nuclear waste. The computer program structure contains (a) equilibrium models of off-gases with the adsorbate; (b) mass-transfer models to describe off-gas mass transfer to a particle, diffusion through the pores of the particle, and adsorption on the active sites of the particle; and (c) incorporation of these models into fixed bed adsorption modeling, which includes advection through the bed. These models are being connected with the MOOSE (Multiphysics Object-Oriented Simulation Environment) software developed at the Idaho National Laboratory through DGOSPREY (Discontinuous Galerkin Off-gas SeParation and REcoverY) computer codes developed in this project. Experiments for iodine and water adsorption have been conducted on reduced silver mordenite (Ag0Z) for single layered particles. Adsorption apparatuses have been constructed to execute these experiments over a useful range of conditions for temperatures ranging from ambient to 250°C and water dew points ranging from -69 to 19°C. Experimental results were analyzed to determine mass transfer and diffusion of these gases into the particles and to determine which models best describe the single and binary component mass transfer and diffusion processes. The experimental results were also used to demonstrate the capabilities of the comprehensive models developed to predict single-particle adsorption and transients of the adsorption-desorption processes in fixed beds. Models for adsorption and mass transfer have been developed to mathematically describe adsorption kinetics and transport via diffusion and advection processes. These models were built on a numerical framework for solving conservation law problems in one-dimensional geometries such as spheres, cylinders, and lines. Coupled with the framework are specific models for adsorption in commercial adsorbents, such as zeolites and mordenites. Utilizing this modeling approach, the authors were able to accurately describe and predict adsorption kinetic data obtained from experiments at a variety of different temperatures and gas phase concentrations. A demonstration of how these models, and framework, can be used to simulate adsorption in fixed- bed columns is provided. The CO 2 absorption work involved modeling with supportive experimental information. A dynamic model was developed to simulate CO 2 absorption using high alkaline content water solutions. The model is based upon transient mass and energy balances for chemical species commonly present in CO 2 absorption. A computer code was developed to implement CO 2 absorption with a chemical reaction model. Experiments were conducted in a laboratory scale column to determine the model parameters. The influence of geometric parameters and operating variables on CO 2 absorption was studied over a wide range of conditions. Continuing work could employ the model to control column operation and predict the absorption behavior under various input conditions and other prescribed experimental perturbations. The value of the validated models and numerical frameworks developed in this project is that they can be used to predict the sorption behavior of off-gas evolved during the reprocessing of nuclear waste and thus reduce the cost of the experiments. They can also be used to design sorption processes based on concentration limits and flow-rates determined at the plant level.

42 ENGINEERING↗

A robust spectral element implementation of the $k - τ$ RANS model in Nek5000/NekRS

The $k - ω$ Reynolds Averaged Navier Stokes (RANS) model is one of the industry standard approaches for modeling of turbulent flows. It performs better than the $k - ϵ$ model for low Reynolds number flows and is also more suitable for boundary layers with adverse pressure gradients. Major drawback of the model, however, is that the asymptotic value of $ω$ at the walls is singular, necessitating the use of a contrived “sufficiently” large value for $ω$ as the boundary condition for its transport equation. Here, this invariably leads to the solution being sensitive to near wall grid spacing. While an acceptable solution for low order (finite volume) methods, the excessive near wall gradients lead to persistent numerical stability issues in high order codes. To alleviate the problem, specifically in the context of the high order spectral element code Nek5000, a regularized $k - ω$ approach was formulated in our prior work (Tomboulides et al., 2018). The formulation, however, relies on the use of wall distance and its gradients for modeling the closure terms and can pose problems for simulations in complex geometries. This work presents a novel implementation of the $k - τ$ RANS model in Nek5000, where $τ = 1/ω$, eliminating the need for regularization, owing to the asymptotically bounded behavior of the source terms in the $τ$ transport equation, and also eliminating dependence on wall distance. Robustness and stability of the $k - τ$ model is ensured through implicit treatment of the source terms and their careful numerical implementation and demonstrated through several cases aimed at verification and validation. Studies include both canonical and engineering relevant problems, viz., turbulent channel flow, pipe flow, backward facing step, flow over NACA 0012 airfoil and flow in a T-junction. Results from the $k - τ$ model are shown to be consistent with regularized $k - ω$ model and also with the $k - ω$ SST model in OpenFOAM (for select studies). Comparison with experimental data is also shown, where available, to bolster validation efforts for the $k - τ$ model implementation through prediction of key turbulent quantities of interest.

Nek5000↗

Experimental Verification of Computational Models for Laminated Composites

The objective of the research reported herein is to develop a progressive damage methodology capable of predicting the residual strength of continuous fiber-reinforced, laminated, polymer matrix composites with through-penetration damage. The fracture behavior of center-notch tension panels with thin crack-like slits was studied. Since fibers are the major load-carrying constituent in polymer matrix composites, predicting the residual strength of a laminate requires a criterion for fiber fracture. The effects on fiber strain due to other damage mechanisms such as matrix cracking and delaminations must also be modeled. Therefore, the research herein examines the damage mechanisms involved in translaminate fracture and identifies the toughening mechanisms responsible for damage growth resistance in brittle epoxy matrix systems. The mechanics of matrix cracking and fiber fracture are discussed as is the mathematical framework for the progressive damage model developed by the authors. The progressive damage analysis algorithms have been implemented into a general purpose finite element code developed by NASA, the Computational Structural Mechanics Testbed (COMET). Damage growth is numerically simulated and the analytical residual strength predictions are compared to experimental results for a variety of notched panel configurations and materials systems.

Harris, Charles E.↗

Development of PFLOTRAN Transport Capability for Use in the Waste Isolation Pilot Plant Performance Assessment - 20545

Waste Isolation Pilot Plant (WIPP) performance assessment (PA) calculations estimate the probability of radionuclide release from the repository to the land surface and across the land withdrawal boundary for a regulatory period of 10,000 years after facility closure. Simulations of flow and transport in the repository and the surrounding Salado Formation are foundational to the PA. Because proposed additional waste emplacement panels would result in an asymmetric repository layout, the US Department of Energy (DOE) is preparing to transition to use of a three-dimensional (3-D) model domain for simulation of flow and transport instead of the two-dimensional (2-D) flared grid domain currently used. DOE has charged Sandia National Laboratories with developing the capability necessary to simulate processes affecting flow and transport in the WIPP in PFLOTRAN, an open-source massively parallel multi-phase flow and reactive transport code. The new flow and transport capabilities developed in PFLOTRAN incorporate WIPP-specific process models and will replace the 2-D simulators (BRAGFLO and NUTS) that are currently utilized for Salado flow and transport calculations in WIPP PA. The focus of this paper is on the development of a new Nuclear Waste Transport (NWT) mode in PFLOTRAN that has all of the capabilities necessary for Salado transport simulations, including the ability to handle complete dry-out (100% gas saturation) of arbitrary cells in the model domain, radionuclide mass conservation at step changes in porosity associated with borehole intrusion, and the ability to calculate fluxes on a flared grid. The new PFLOTRAN transport capability and a suite of verification tests were designed around a list of functional requirements for WIPP PA calculations. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

A Comparison Between The NORCAT Rover Test Results and the ISRU Excavation System Model Predictions Results

An Excavation System Model has been written to simulate the collection and transportation of regolith on the moon. The calculations in this model include an estimation of the forces on the digging tool as a result of excavation into the regolith. Verification testing has been performed and the forces recorded from this testing were compared to the calculated theoretical data. The Northern Centre for Advanced Technology Inc. rovers were tested at the NASA Glenn Research Center Simulated Lunar Operations facility. This testing was in support of the In-Situ Resource Utilization program Innovative Partnership Program. Testing occurred in soils developed at the Glenn Research Center which are a mixture of different types of sands and whose soil properties have been well characterized. This testing is part of an ongoing correlation of actual field test data to the blade forces calculated by the Excavation System Model. The results from this series of tests compared reasonably with the predicted values from the code.

Gallo, Christopher A.↗

New Experiments for Detecting Emissions from Fission

Ensuring that nuclear science and technology is used solely for peaceful purposes is one of the most pressing challenges facing our society. The Consortium for Monitoring, Technology, and Verification (MTV) mission is to help meet this challenge by providing advanced technology and trained talent for careers in nuclear security and nonproliferation. The study of nuclear fission is one area of interest in the MTV. We are performing new experiments for the characterization of neutron and gamma ray emissions from fission fragments. These emissions are signatures for the detection and characterization of nuclear materials. To perform these experiments, we have developed Fission Sphere (FS-3), an array of forty organic stilbene detectors operated in time-coincidence. The FS-3 is used to measure the prompt emissions of neutrons and gamma rays from Cf-252 spontaneous fission. These new data will be used to validate physics-based prediction codes, including CGMF and FREYA, and will be useful in future ENDF and ENSDF evaluations. This paper will present results from the first experiments using FS-3 and a Cf-252 spontaneous fission source. It will compare the experimental results with predictions from theory and Monte Carlo simulation. Specifically, we will describe the correlations among energy, multiplicity, and angles of emitted particles. We will also discuss the application of these correlations in multiplicity counting techniques, which are widely used in nuclear safeguards.

Pozzi, S. A.↗

A Visual Atlas on Strategic Trade

Strategic trade concerns global trade flows of items with strategic military value. Items include goods with exclusive military use, but also dual-use items that can have both military and civil uses. Many countries require licenses for trade in strategic items as a measure of non-proliferation. For example, items listed for trade control by multilateral export control arrangements, such as the Nuclear Suppliers Group (NSG), typically are considered strategic goods. Analysts and officials involved in strategic trade control often lack quantitative global understanding of relevant trade patterns that would help them focus control and enforcement efforts, select companies for outreach and audit, target transactions for verification and inspection, and assess the potential economic impact of trade control policies. Many are unaware of available open source data on international trade that can inform these issues. Many do not know how to make use of such data or lack the tools necessary to do so. A book of charts dubbed a ‘Strategic Trade Atlas’ was developed to illustrate global trade flows of strategic goods and raise awareness of the availability and utility of open source trade data. The Atlas was prepared for the World Customs Organization (WCO) and its Member States to support their planning and execution of Strategic Trade Control Enforcement (STCE) operations. It offers macroscopic graphical representations of global trade flows classified under Harmonized System (HS) codes associated by the WCO with commodities described in its STCE Implementation Guide. While these HS codes are understood to also encompass many non-strategic items, they nevertheless provide a good overview of potentially strategic trade flows. These include HS codes covering nuclear and nuclear-related commodities listed by the NSG, such as uranium, heavy water, graphite, carbon fiber, nickel powder, beryllium, aluminum tubes, vacuum pumps, valves, machine tools, cameras, and many others. The Atlas uses trade data from the Base pour l’Analyse du Commerce International (BACI), a statistical elaboration of public UN Comtrade data. BACI data reconciles trade flows, taking into account asymmetries in import and export trade valuation. The data visualization approach facilitates rapid sense making, pattern recognition, and anomaly detection. Country-based profiles summarize vast amounts of data into readily understandable graphical representations of each country’s primary strategic imports and exports and their main trading partners. Commodity-based profiles provide a global view of major exporters, importers, and trade patterns for each commodity. These insights can inform the risk management approach employed by customs to allocate enforcement and compliance efforts.

customs controls↗

ECP SOLLVE: Validation and Verification Testsuite Status Update and Compiler Insight for OpenMP

The OpenMP language continues to evolve with every new specification release, as does the need to validate and verify the new features that have been implemented by the different vendors. With the release of OpenMP 5.0 and OpenMP 5.1, new target offload and host-based features have been introduced to the programming model. While OpenMP continues to grow in maturity, there is an observable growth in the number of compiler and hardware vendors that support OpenMP. In this manuscript, the main focus is on evaluating the conformity and OpenMP implementation progress of various compiler vendors such as Cray, IBM, GNU, Clang/LLVM, NVIDIA, and Intel. More specifically, the 4.5, 5.0, and 5.1 versions of the OpenMP specification are analyzed. For our experimental setup, the Crusher and Summit computing systems hosted by Oak Ridge National Lab’s Computing Facilities are utilized. The effort of vendor agnostic analysis of these implementations is especially valuable for application developers who are using new OpenMP features to accelerate their scientific codes. Insights are presented into the current implementation status of various vendors, the progression of specific compiler’s support for OpenMP overtime, the subset of OpenMP 4.5, 5.0, and 5.1 that is supported by all compilers, and examples of how our test suite has influenced discussion regarding the correct interpretation of the OpenMP specification. By evaluating OpenMP conformity of pre-Exascale computing systems, the aim is to detail progress and status of AMD + Cray ecosystem before the system and their OpenMP implementation is used for mission critical applications when the first Exascale Computer Frontier is made available to applications.

Huber, Thomas↗

Progress with the 5D full-F continuum gyrokinetic code COGENT

COGENT is an Eulerian gyrokinetic code being developed for edge plasma modelling. The code is distinguished by the use of a high-order finite-volume (conservative) discretization combined with mapped multi-block grid technology. Our recent work is focused on the development of a 5D full-F COGENT version.Anumerical algorithm utilizing locally a field-aligned multi-block coordinate system is implemented to facilitate simulations of highly anisotropic microturbulence in the presence of a strong magnetic shear. In this approach, the toroidal direction is divided into blocks such that,within each block, the cells are field-aligned and a non-matching (non-conformal) grid interface is allowed at the block boundaries. In this paper we report on details of the numerical implementation and present preliminary results of verification studies performed for the case of the ion temperature gradient (ITG) instability in a sheared toroidal annulus geometry.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

OC6 Phase III Definition Document

The objective of Phase III of the Offshore Code Comparison Collaboration, Continued, with Correlation and unCertainty (OC6) project was to evaluate the accuracy of aerodynamic load predictions by offshore wind modeling tools for a floating offshore wind turbine as it experiences large surge-translational and pitch-rotational motion, as would occur during normal operation. A variety of models were examined in the project, with the goal of performing a three-way validation between engineering-level tools, higher-fidelity tools, and measurement data from two wind tunnel experimental campaigns. This document provides the necessary information to model and simulate the system studied in the OC6 Phase III project. This information is not only useful for project participants, but also future modelers who want to replicate this work for verification and validation purposes.

17 WIND ENERGY↗

A synoptic-scale overview of the TOGA COARE intensive observing period November 1992 to February 1993 based on analyses from US operational global data assimilation systems

The operational global analyses from the two major U.S. numerical weather prediction centers, the Navy's Fleet Numerical Oceanography Center and the National Meteorological Center, are used to describe the synoptic-scale features of the 1 Nov. 1992 to 28 Feb. 1993 TOGA COARE intensive observing period (IOP). TOGA COARE is an international field experiment in which a large number of research scientists from the Goddard Laboratory for Atmospheres (Code 910) and the Laboratory for Hydrospheres (Code 970) participated. Two high-amplitude intraseasonal (30-60 day) oscillations passed through the TOGA COARE observational network located in the equatorial western Pacific. Associated with the oscillations were two 6-10 day periods of persistent westerly surface winds at the equator or 'westerly wind bursts.' These events are depicted through time series and time-longitude cross sections of divergence/velocity potential, surface winds, precipitation, ocean mixed-layer depth, and sea surface temperature. The high and low frequency components of the flow in which the intraseasonal oscillations were embedded are shown using seasonal, monthly, and 5-day averages of the surface, 850 and 200 mb winds, precipitation, and sea-level pressure, and a time-longitude cross section of tropical cyclone activity. Independent verification of precipitation comes from near real-time satellite estimates, and a reference climatology is given based on 9 years of ECMWF analyses. Daily 00 UTC analyses of surface winds and sea-level pressure for the entire western Pacific and Indian Ocean are provided to trace the evolution of individual synoptic events.

Fiorino, M.↗

Resin Film Infusion (RFI) Process Modeling for Large Transport Aircraft Wing Structures

This investigation completed the verification of a three-dimensional resin transfer molding/resin film infusion (RTM/RFI) process simulation model. The model incorporates resin flow through an anisotropic carbon fiber preform, cure kinetics of the resin, and heat transfer within the preform/tool assembly. The computer model can predict the flow front location, resin pressure distribution, and thermal profiles in the modeled part. The formulation for the flow model is given using the finite element/control volume (FE/CV) technique based on Darcy's Law of creeping flow through a porous media. The FE/CV technique is a numerically efficient method for finding the flow front location and the fluid pressure. The heat transfer model is based on the three-dimensional, transient heat conduction equation, including heat generation. Boundary conditions include specified temperature and convection. The code was designed with a modular approach so the flow and/or the thermal module may be turned on or off as desired. Both models are solved sequentially in a quasi-steady state fashion. A mesh refinement study was completed on a one-element thick model to determine the recommended size of elements that would result in a converged model for a typical RFI analysis. Guidelines are established for checking the convergence of a model, and the recommended element sizes are listed. Several experiments were conducted and computer simulations of the experiments were run to verify the simulation model. Isothermal, non-reacting flow in a T-stiffened section was simulated to verify the flow module. Predicted infiltration times were within 12-20% of measured times. The predicted pressures were approximately 50% of the measured pressures. A study was performed to attempt to explain the difference in pressures. Non-isothermal experiments with a reactive resin were modeled to verify the thermal module and the resin model. Two panels were manufactured using the RFI process. One was a stepped panel and the other was a panel with two 'T' stiffeners. The difference between the predicted infiltration times and the experimental times was 4% to 23%.

Loos, Alfred C.↗

Multiple Degradation Mechanisms in Reinforced Concrete Structures, Modeling and Risk Analysis

The overarching goal of this project is to complement ongoing Department of Energy (DOE) Light Water Reactor Sustainability (LWRS)-funded Grizzly concrete modeling development efforts by providing improved multi-physics models for incorporation into the Grizzly and BlackBear codes. Objectives of this work identified at the outset of this project include: 1. Coupling between mechanical damage and transport processes. The mechanical damage will be characterized by nonlinear mechanical constitutive models appropriate for concrete used in nuclear power plants (NPPs). 2. Improved representation of the coupling among the transport process, building on the current moisture and thermal transport models in Grizzly. The parameters for coupling among heat and mass transport in the multi-physics model will be experimentally determined. 3. Coupling among different scale levels of concrete constituents, fine and coarse aggregates, cement paste, hydration products, and pore structure. 4. Probabilistic analysis of the random nature of the heterogeneous concrete structure and the environmental factors (ambient temperature and humidity) and their multiple effects on concrete deterioration. 5. Benchmark verification, validation and uncertainty quantification of the thermo-hygro- chemo-mechanical (THCM) concrete formulation. The end goal of this work was to provide a comprehensive and robust simulation capability that can be applied at the engineering scale for analysis of realistic deterioration scenarios in NPP concrete structures.

36 MATERIALS SCIENCE↗

A Poisson equation method for prescribing fully developed non-Newtonian inlet conditions for computational fluid dynamics simulations in models of arbitrary cross-section

Prescribing inlet boundary conditions for computational fluid dynamics (CFD) simulations of internal flow in complex geometries such as anatomical vascular models is challenging. In the absence of patient-specific inlet velocity data, a common approach for long blood vessels is to assume that the inlet flow is fully developed. In vessels of irregular cross section, however, prescribing fully developed conditions is complicated due to the lack of a general closed-form analytical solution. In this study, we develop a simple Poisson equation method for prescribing fully developed inlet conditions for the flow of either Newtonian or non-Newtonian fluids in CFD models of arbitrary cross-section. We first derive the generalized Poisson equation for fully developed flow of a non-Newtonian fluid and we then develop and verify a methodology for numerically computing the solution on any planar boundary domain. In addition, we develop a simple extension of the method for prescribing a non-orthogonal inlet velocity that represents fully developed flow from an upstream tube that is connected to the CFD inlet at a non-orthogonal angle. This may be used to investigate a common source of uncertainty in CFD simulations of internal flow that is due to a lack of information concerning the exact streamwise flow direction at the inlets. Comparison to several Newtonian and non-Newtonian benchmark verification solutions shows the method to be extremely accurate. As a practical demonstration case, we use the method to prescribe fully developed conditions on multiple non-circular inlets for the non-Newtonian flow of blood in a patient-specific model of the inferior vena cava (IVC). Finally, we further demonstrate the utility of the method by performing a sensitivity study using the patient-specific IVC model, wherein we investigate the influence of inlet velocity flow direction on the non-Newtonian IVC hemodynamics. Given its simplicity and computational efficiency, the method is shown to be far superior to alternative approaches for prescribing fully developed inlet conditions in such complicated geometries. In conclusion, to facilitate the adoption of our Poisson equation method, we have distributed our OpenFOAM source code and the associated test cases from this study as open-source software.

97 MATHEMATICS AND COMPUTING↗

Diffraction properties of cylindrically bent KAP crystals in energy range of 2.3–7.5 keV using synchrotron radiation

Verification of physics models and computer simulations are heavily reliant upon the accuracy of experimental measurements. Calibration of instrument responses becomes an important step to achieve this goal. This paper presents systematic studies of bent potassium acid phthalate (KAP) crystals using Lawrence Berkeley National Laboratories, Advanced Light Source, beamline 9.3.1 in the energy range of 2.3 to 7.5 keV. A set of KAP crystals, gradually bent from flat up to a 50.8 mm cylindrical curvature. The measured integrated reflectivity for this set of KAP crystals shows good agreement with the X-ray Oriented Program (XOP) calculations when adjusting the Debye–Waller temperature factor and using the multilamellar model in the calculations. Significant differences in rocking curve profiles were observed between experimental measurements and theory. A forward convolution model and software code were developed to include experimental parameters, allowing the investigation of the difference between measurements and calculations. After considering the experimental parameters, good agreements were obtained for the rocking curve profiles for all bending radii with a unique set of parameters. Our results show that XOP can be a useful and reliable tool to predict performance of cylindrically bent KAP crystals in this energy range.

Wu, Ming↗