@article{crozier_hawari_2023, title={Ab Initio Evaluation of Uranium Carbide S(alpha, beta) and Thermal Neutron Cross Sections}, volume={284}, ISBN={["*****************"]}, ISSN={["2100-014X"]}, DOI={10.1051/epjconf/202328417005}, abstractNote={Uranium Carbide (UC) is a nuclear fuel material which offers better neutron economy and lower fuel-cycle costs compared to conventional mixed-oxide fuels. UC’s lattice binding and dynamical properties impact thermal neutron scattering and low temperature epithermal resonance absorption. The Thermal Scattering Law (TSL) describes the scattering system available energy and momentum transfer states. There is no TSL evaluation for UC in the ENDF/B-VIII.0 database; herein,ab-initiolattice dynamics (AILD) techniques are invoked to calculate the phonon spectrum for UC using spin-orbit-coupling density functional theory (DFT). The TSLs, inelastic and elastic thermal scattering cross sections for Uranium238 and Carbon12 in UC, respectively, are calculated inFLASSHfor use in higher fidelity reactor design calculations.}, journal={15TH INTERNATIONAL CONFERENCE ON NUCLEAR DATA FOR SCIENCE AND TECHNOLOGY, ND2022}, author={Crozier, Jonathan and Hawari, Ayman}, year={2023} }
 @article{fleming_manring_laramee_crozier_lee_hawari_2023, title={FLASSH 1.0: Thermal Scattering Law Evaluation and Cross Section Generation}, volume={284}, ISBN={["*****************"]}, ISSN={["2100-014X"]}, DOI={10.1051/epjconf/202328417007}, abstractNote={The Full Law Analysis Scattering System Hub (FLASSH) is an advanced code which evaluates the thermal scattering law (i.e. TSL, S(α,β)) for thermal scattering cross sections and resonance Doppler broadening. The ability to accurately capture these two key cross section features is dependent on accurate, high fidelity TSL evaluations. FLASSH 1.0 provides advanced physics capabilities resulting in an improved, generalized TSL to most accurately represent the lattice dynamics within any material. This improved TSL will allow for consistent analysis in both the thermal and epithermal energy ranges. The features for TSL analysis are packaged within the FLASSH GUI for easy user interface along with data output in many file formats including ENDF File 7 and ACE files.}, journal={15TH INTERNATIONAL CONFERENCE ON NUCLEAR DATA FOR SCIENCE AND TECHNOLOGY, ND2022}, author={Fleming, N. Colby and Manring, Cole A. and Laramee, Benjamin K. and Crozier, Jonathan P. W. and Lee, Eunji and Hawari, Ayman I.}, year={2023} }
 @article{fleming_manring_laramee_crozier_lee_hawari_2023, title={FLASSH 1.0: Thermal Scattering Law Evaluation and Cross-Section Generation for Reactor Physics Applications}, ISSN={["1943-748X"]}, DOI={10.1080/00295639.2023.2194195}, abstractNote={Abstract The Full Law Analysis Scattering System Hub (FLASSH) is a modern, advanced code that evaluates the thermal scattering law (TSL) along with accompanying cross sections. FLASSH features generalized methods that accommodate any material structure. Historical approximations including incoherent and cubic approximations have been removed. Instead, the latest release of FLASSH features advanced physics options including distinct effect corrections (one-phonon contributions) and noncubic formulations. Noncubic elastic and inelastic contributions are necessary to accurately evaluate one-phonon contributions. Both noncubic and one-phonon calculations require high-density sampling of the various scattering directions. Optimization and parallelization of these routines were therefore necessary to produce results in a reasonable computational time frame. With these notable improvements to the generalized TSL, FLASSH 1.0 can meet benchmark requirements by permitting realistic comparisons with experiments for both TSLs and the resulting integrated cross sections. Within FLASSH, these high-fidelity TSLs can be applied also to the resonance region to evaluate accurate, material structure-dependent Doppler broadening that captures the observed experimental behavior. Additional features including a graphical user interface (GUI), plotting diagnostics, and formatted output options including ACE files allow users to complete a TSL evaluation with minimal input and maximum flexibility. The user GUI creates input files for FLASSH, reducing user error and also providing built-in error checks. Autofill options and suggested input values help make TSL evaluation accessible to novice users. The FLASSH code is compiled to run on both Windows and Linux platforms with automatic parallelization.}, journal={NUCLEAR SCIENCE AND ENGINEERING}, author={Fleming, N. Colby and Manring, Cole A. and Laramee, Briana K. and Crozier, Jonathan P. W. and Lee, Eunji and Hawari, Ayman I.}, year={2023}, month={Apr} }