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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Explosive Soot Challenge (Final Report)

This project assembled a broad ensemble of modeling and experimentation tools to study the morphological and optical properties of detonation soots in explosive fireballs. A gram-scale hemispherical high explosive was studied in a low-pressure controlled environment using in-situ experimentation with diffusely illuminated visible absorption spectroscopy, particle sizing through light scattering techniques, and post-test collections with subsequent morphological analysis. Hydrocode modeling was performed to replicate the detonation flow observations, and subsequent aerosol kinetics models provided particle size distributions and extinction coefficients from the hydrocode results. Experimentally observed soot morphologies agreed with expectation from the literature - a bimodal distribution was found, brought upon by the particles growing to a size where their inertia and fluid wakes are non-negligible. The aerosol kinetics model did not replicate the observed bimodal size distribution for lack of a coagulation kernel to represent the behavior. To recover particulate optical properties, a spectrally resolved absorption spectroscopy method termed Spectral diffuse back-illuminated extinction imaging (SBI-EI) was developed and implemented on two explosive types. Inverting the absorption spectra using a Kramers-Kronig consistent method yielded the complex index of refraction for the soots produced by the explosives. This method resulted in an unrealistic index of refraction for one of the two explosives, and this is suspected to be due to the model neglecting scattering brought upon by the large particle sizes observed. In addition to the core work, three additional studies were performed in parallel. These investigated the impact of scattering on diffuse absorption spectroscopy, studied how soots oxidate and sublimate in a well-controlled shock tube, and laid the theoretical groundwork for a new collision kernel to replicate the bimodal size distribution from the observations. Summaries of these efforts are included at the end of this report.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2014

Analytic Evolution of Singular Distribution Amplitudes in QCD

Distribution amplitudes (DAs) are the basic functions that contain information about the quark momentum. DAs are necessary to describe hard exclusive processes in quantum chromodynamics. We describe a method of analytic evolution of DAs that have singularities such as nonzero values at the end points of the support region, jumps at some points inside the support region and cusps. We illustrate the method by applying it to the evolution of a at (constant) DA, antisymmetric at DA, and then use the method for evolution of the two-photon generalized distribution amplitude. Our approach to DA evolution has advantages over the standard method of expansion in Gegenbauer polynomials [1, 2] and over a straightforward iteration of an initial distribution with evolution kernel. Expansion in Gegenbauer polynomials requires an infinite number of terms in order to accurately reproduce functions in the vicinity of singular points. Straightforward iteration of an initial distribution produces logarithmically divergent terms at each iteration. In our method the logarithmic singularities are summed from the start, which immediately produces a continuous curve. Afterwards, in order to get precise results, only one or two iterations are needed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

TH-CD-207A-07: Prediction of High Dimensional State Subject to Respiratory Motion: A Manifold Learning Approach

Purpose: The development of high dimensional imaging systems (e.g. volumetric MRI, CBCT, photogrammetry systems) in image-guided radiotherapy provides important pathways to the ultimate goal of real-time volumetric/surface motion monitoring. This study aims to develop a prediction method for the high dimensional state subject to respiratory motion. Compared to conventional linear dimension reduction based approaches, our method utilizes manifold learning to construct a descriptive feature submanifold, where more efficient and accurate prediction can be performed. Methods: We developed a prediction framework for high-dimensional state subject to respiratory motion. The proposed method performs dimension reduction in a nonlinear setting to permit more descriptive features compared to its linear counterparts (e.g., classic PCA). Specifically, a kernel PCA is used to construct a proper low-dimensional feature manifold, where low-dimensional prediction is performed. A fixed-point iterative pre-image estimation method is applied subsequently to recover the predicted value in the original state space. We evaluated and compared the proposed method with PCA-based method on 200 level-set surfaces reconstructed from surface point clouds captured by the VisionRT system. The prediction accuracy was evaluated with respect to root-mean-squared-error (RMSE) for both 200ms and 600ms lookahead lengths. Results: The proposed method outperformed PCA-based approach with statistically higher prediction accuracy. In one-dimensional feature subspace, our method achieved mean prediction accuracy of 0.86mm and 0.89mm for 200ms and 600ms lookahead lengths respectively, compared to 0.95mm and 1.04mm from PCA-based method. The paired t-tests further demonstrated the statistical significance of the superiority of our method, with p-values of 6.33e-3 and 5.78e-5, respectively. Conclusion: The proposed approach benefits from the descriptiveness of a nonlinear manifold and the prediction reliability in such low dimensional manifold. The fixed-point iterative approach turns out to work well practically for the pre-image recovery. Our approach is particularly suitable to facilitate managing respiratory motion in image-guide radiotherapy. This work is supported in part by NIH grant R01 CA169102-02.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Scalable Risk Assessment of Rare Events in Power Systems With Uncertain Wind Generation and Loads

Risk assessment of rare events has become increasingly important in power system planning and operation with the increasing integration of renewable energy and the presence of system uncertainties. However, quantifying the risk posed by rare events via the traditional method, i.e., Monte Carlo sampling (MCS), incurs substantial computational expense stemming from the vast ensemble of power flow simulations. To accelerate the assessment, this paper proposes a Deep Neural Network (DNN)-kernelized vector-valued Gaussian Process (VVGP) approach with excellent computational efficiency while maintaining high accuracy. Consequently, serving as a surrogate model for the power flow solver, the DNN-kernelized VVGP enables significantly faster but accurate risk assessment compared to the power flow solver. The developed surrogate model evaluates low-order N - k events that contain more than 90% instances by adeptly capturing the topological features while the high-order N - k events are assessed via a power flow solver, thereby striking a balance between computational efficiency and uncertainty quantification accuracy. Moreover, the model incorporates a Support Vector Machine (SVM) classifier to resample concerning low-probability tail events to counteract the biases potentially introduced during the DNN-kernelized VVGP evaluations. Simulations conducted on the modified IEEE 24-bus, 118-bus, and European 1354-bus systems demonstrate that the proposed method maintains the accuracy benchmark set by MCS while significantly reducing computational demands in large-scale power systems as compared to other state-of-the-art methods.

17 WIND ENERGY↗
DOE OSTI2020

The effect of atmospheric transmissivity on model and observational estimates of the sea ice albedo feedback

The sea-ice-albedo feedback (SIAF) is the product of the ice sensitivity (IS) – how much the surface albedo in sea-ice regions changes as the planet warms– and the radiative sensitivity (RS) – how much the top of atmosphere radiation changes as the surface albedo changes. We demonstrate that the RS calculated from radiative kernels in climate models is reproduced from calculations using the “approximate partial radiative perturbation” method that uses the climatological radiative fluxes at the top of atmosphere and the assumption that the atmosphere is isotropic to shortwave radiation. This method facilitates the comparison of RS from satellite-based estimates of climatological radiative fluxes with RS estimates across a full suite of coupled climate models and, thus, allows model evaluation of a quantity important in characterizing the climate impact of sea ice concentration changes. The satellite based RS is within the model range of RS that differs by a factor of two across climate models in both the Arctic and Southern Ocean. Observed trends in Arctic sea ice are used to estimate IS which, in conjunction with the satellite-based RS yields an SIAF of 0.16 ± 0.04 W m-2 K-1. This Arctic SIAF estimate suggests a modest amplification of future global surface temperature change by approximately 14% relative to a climate system with no SIAF. We calculate the global albedo feedback in climate models using model specific RS and IS and find a model mean feedback parameter of 0.37 W m-2 K-1 which is 40% larger than the IPCC AR5 estimate based on using RS calculated from radiative kernel calculations in a single climate model.

Arctic, Antarctic, climate change, Climate & Earth↗
DOE OSTI2022

Surface analysis insight note: Differentiation methods applicable to noisy data for determination of sp2‐ versus sp3‐hybridization of carbon allotropes and AES signal strengths

The derivatives of the spectra are commonly used for quantification in Auger Electron Spectroscopy (AES) spectra, while the derivative of the KLL C Auger line has proven to be valuable in obtaining a measure of the relative proportions of sp 2 ‐ and sp 3 ‐hybridization using the D‐parameter in both AES and X‐ray Photoelectron Spectroscopy (XPS). Differentiation of X‐ray Photoelectron Spectroscopy (XPS) and Auger Electron Spectroscopy (AES) spectra by numerical means is presented and illustrated for polymeric, such as PEEK and Nylon, as well as for graphitic materials including highly ordered pyrolytic graphite and graphene oxide. The most commonly available Savitzky–Golay method is explained mathematically and developed through the case of constructing a 5‐point quadratic polynomial convolution kernel suitable for differentiating spectra of adequate signal to noise. The concept of differentiation of spectra where signal to noise is less than adequate is also developed. Two alternative strategies to Savitzky–Golay differentiation are presented, which fit curves to data that allow derivatives to be obtained where Savitzky–Golay would otherwise fail. These alternative methods involve constructing a parametric curve that fits data over the entire energy interval of interest. Derivatives of spectra are then obtained by differentiating these parametric curves directly. A comparison of results for different materials for which specific sp 2 ‐ vs sp 3 ‐hybridized carbon proportions are of interest is used to emphasize the importance of characterizing methods used to differentiate spectra and understanding the characteristics of instrumentation used to measure spectra. The case for using Principal Component Analysis noise reduction with C KLL spectra is made for spectra collected from a heterogeneous graphene oxide sample.

Fairley, Neal↗
DOE OSTI2024

Non-locality of mean scalar transport in two-dimensional Rayleigh–Taylor instability using the macroscopic forcing method

The importance of non-locality of mean scalar transport in two-dimensional Rayleigh–Taylor Instability (RTI) is investigated. The macroscopic forcing method is utilized to measure spatio-temporal moments of the eddy diffusivity kernel representing passive scalar transport in the ensemble averaged fields. Presented in this work are several studies assessing the importance of the higher-order moments of the eddy diffusivity, which contain information about non-locality, in models for RTI. First, it is demonstrated through a comparison of leading-order models that a purely local eddy diffusivity is insufficient to capture the mean field evolution of the mass fraction in RTI. Therefore, higher-order moments of the eddy diffusivity operator are not negligible. Models are then constructed by utilizing the measured higher-order moments. It is demonstrated that an explicit operator based on the Kramers–Moyal expansion of the eddy diffusivity kernel is insufficient. An implicit operator construction that matches the measured moments is shown to offer improvements relative to the local model in a converging fashion.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

SU-F-T-147: An Alternative Parameterization of Scatter Behavior Allows Significant Reduction of Beam Characterization for Pencil Beam Proton Therapy

Purpose: 1) To describe the characteristics of pencil beam proton dose deposition kernels in a homogenous medium using a novel parameterization. 2) To propose a method utilizing this novel parametrization to reduce the measurements and pre-computation required in commissioning a pencil beam proton therapy system. Methods: Using beam data from a clinical, pencil beam proton therapy center, Monte Carlo simulations were performed to characterize the dose depositions at a range of energies from 100.32 to 226.08 MeV in 3.6MeV steps. At each energy, the beam is defined at the surface of the phantom by a two-dimensional Normal distribution. Using FLUKA, the in-medium dose distribution is calculated in 200×200×350 mm cube with 1 mm{sup 3} tally volumes. The calculated dose distribution in each 200×200 slice perpendicular to the beam axis is then characterized using a symmetric alpha-stable distribution centered on the beam axis. This results in two parameters, α and γ, that completely describe shape of the distribution. In addition, the total dose deposited on each slice is calculated. The alpha-stable parameters are plotted as function of the depth in-medium, providing a representation of dose deposition along the pencil beam. We observed that these graphs are isometric through a scaling of both abscissa and ordinate map the curves. Results: Using interpolation of the scaling factors of two source curves representative of different beam energies, we predicted the parameters of a third curve at an intermediate energy. The errors are quantified by the maximal difference and provide a fit better than previous methods. The maximal energy difference between the source curves generating identical curves was 21.14MeV. Conclusion: We have introduced a novel method to parameterize the in-phantom properties of pencil beam proton dose depositions. For the case of the Knoxville IBA system, no more than nine pencil beams have to be fully characterized.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

NRC Multiphysics Analysis Capability Deployment FY21: Part 3

This report details the progress and activities of Idaho National Laboratory (INL) on the Nuclear Regulatory Commission (NRC) project “Development and Modeling Support for Advanced Non-Light Water Reactors.” The deliverables completed for this report are: Deliverable 1c: the capability to model gas mixtures was added to Pronghorn. A test problem mimicking the conditions achieved in a depressurized loss of forced cooling (DLOFC) event was solved with both RELAP-5 and Pronghorn. Pronghorn employed a finite vol ume method with the Kurganov-Tadmor discretization. The comparison between the mass fraction spatial profiles computed with RELAP-5 and Pronghorn clearly shows the presence of numerical artifacts (i.e., overly diffusive behavior at low Mach numbers). We confirmed that the problem disappears at higher Mach numbers. We recommend future work on the implementation of a low Mach finite volume formulation to better treat low Mach number problems. Deliverable 2a: we demonstrated two approaches to model the radiation/conduction/natural convection heat transfer across a stagnant gas for the PBMR-400 design using Pronghorn. The first approach is based on the net radiation method, which relies on the computation of view factors with the Multiphysics Object-Oriented Simulation Environment (MOOSE) ray tracing capability. The second method is a traditional thermal resistance approach. The test problems include both 2D and 3D geometries. In all cases, the results show very good agreement during a DLOFC transient. This confirms that the faster thermal resistance method produces solutions that are equivalent to the net radiation method for this geometry. Deliverable 3d: we demonstrated the use of the advection kernel for the delayed neutron precursor equation in Griffin with a 2D MSFR model. The results appear physical but further verification is recommended. We also recommend the addition of conjugate heat transfer to compute the temperatures and model the thermomechanic behavior of the reflectors and other structures. Significant memory and performance issues were encountered in the 3D axisymmetric model. Future work is recommended in this area. Task 8g: this task allows multidimensional MOOSE applications to be coupled to system codes (RELAP-7 and SAM). We implemented a faster multiphysics iteration coupling algorithm, which provides an overall 6× acceleration of the 3D-1D coupling of the core multidi- mensional fluid flow solver and the 1D primary and secondary loop model.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

UN-SiC TRISO Post Irradiation Examination Developmental Work

As part of efforts to strengthen INL?s post irradiation analysis capabilities with non-Advanced Gas Reactor (AGR) tristructural isotropic (TRISO) fuels, two developmental activities were conducted. The first activity was to determine how best to analyze uranium nitride TRISO fuel kernels using electron probe microanalysis, while the second activity focused on developing a method to deconsolidate TRISO fuel particles that have been encased in a silicon carbide matrix. Because these two activities were unrelated, they have been presented separately in this report. Initial EPMA analyses showed nitrogen contents that far exceeded the concentration expected for UN--a line compound. Further examination showed that current literature values for the mass absorption coefficient (MAC) for the N ka X-ray absorbed by U ranged from approximately 1600 to 9500, with most values tending toward 9500. Measuring UN with five different progressively increasing accelerating voltages followed by using the modeling program xMAC suggests the actual MAC is approximately 2115. Additional MAC modifications were required to produce reasonable analytical results. Because of the inaccuracies of necessary MAC coefficients, UN analysis via scanning electron microscopy (SEM) is likely to produce inaccurate results. This is because SEM software does not typically allow the user to alter MACs. Tests have been performed to examine the feasibility of an electrochemical technique to liberate irradiated TRISO fuel from a SiC matrix without damaging the outer pyrolytic carbon layer of the fuel particle. The method is performed by electrochemically exposing the SiC to magnesium metal forming Mg2Si and C. Following exposure, the small SiC samples showed slight mass increases with no evidence of conversion to Mg2Si and C nor obvious degradation of the SiC samples.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

Range-separated time-dependent density-functional theory with a frequency-dependent second-order Bethe-Salpeter correlation kernel

We present a range-separated linear-response time-dependent density-functional theory (TDDFT) which combines a density-functional approximation for the short-range response kernel and a frequency-dependent second-order Bethe-Salpeter approximation for the long-range response kernel. This approach goes beyond the adiabatic approximation usually used in linear-response TDDFT and aims at improving the accuracy of calculations of electronic excitation energies of molecular systems. A detailed derivation of the frequency-dependent second-order Bethe-Salpeter correlation kernel is given using many-body Green-function theory. Preliminary tests of this range-separated TDDFT method are presented for the calculation of excitation energies of the He and Be atoms and small molecules (H{sub 2}, N{sub 2}, CO{sub 2}, H{sub 2}CO, and C{sub 2}H{sub 4}). The results suggest that the addition of the long-range second-order Bethe-Salpeter correlation kernel overall slightly improves the excitation energies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Assimilating partial observation to enhance feedback control of stochastic dynamical systems

Here, in this paper, we present a novel methodology to tackle feedback optimal control problems in scenarios where the exact state of the controlled process is unknown. It integrates data assimilation techniques and optimal control solvers to manage partial observation of the state process, a common occurrence in practical scenarios. Traditional stochastic optimal control methods assume full state observation, which is often not feasible in real-world fluid dynamics control problems. Our approach underscores the significance of utilizing observational data to inform control policy design. Specifically, we introduce a kernel learning backward stochastic differential equation (SDE) filter to enhance data assimilation efficiency and propose a sample-wise stochastic optimization method within the stochastic maximum principle framework. We demonstrate the efficacy and accuracy of our method in the control of advection-diffusion-reaction flow problem and the Dubins airplane maneuvering problem with model uncertainty.

data driven↗
DOE OSTI2014

Proper orthogonal decomposition-based spectral higher-order stochastic estimation

A unique routine, capable of identifying both linear and higher-order coherence in multiple-input/output systems, is presented. The technique combines two well-established methods: Proper Orthogonal Decomposition (POD) and Higher-Order Spectra Analysis. The latter of these is based on known methods for characterizing nonlinear systems by way of Volterra series. In that, both linear and higher-order kernels are formed to quantify the spectral (nonlinear) transfer of energy between the system's input and output. This reduces essentially to spectral Linear Stochastic Estimation when only first-order terms are considered, and is therefore presented in the context of stochastic estimation as spectral Higher-Order Stochastic Estimation (HOSE). The trade-off to seeking higher-order transfer kernels is that the increased complexity restricts the analysis to single-input/output systems. Low-dimensional (POD-based) analysis techniques are inserted to alleviate this void as POD coefficients represent the dynamics of the spatial structures (modes) of a multi-degree-of-freedom system. The mathematical framework behind this POD-based HOSE method is first described. The method is then tested in the context of jet aeroacoustics by modeling acoustically efficient large-scale instabilities as combinations of wave packets. The growth, saturation, and decay of these spatially convecting wave packets are shown to couple both linearly and nonlinearly in the near-field to produce waveforms that propagate acoustically to the far-field for different frequency combinations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

GPU Acceleration of Mean Free Path Based Kernel Density Estimators for Monte Carlo Neutronics Simulations

Kernel Density Estimators (KDEs) are a non-parametric density estimation technique that has recently been applied to Monte Carlo radiation transport simulations. Kernel density estimators are an alternative to histogram tallies for obtaining global solutions in Monte Carlo tallies. With KDEs, a single event, either a collision or particle track, can contribute to the score at multiple tally points with the uncertainty at those points being independent of the desired resolution of the solution. Thus, KDEs show potential for obtaining estimates of a global solution with reduced variance when compared to a histogram. Previously, KDEs have been applied to neutronics for one-group reactor physics problems and fixed source shielding applications. However, little work was done to obtain reaction rates using KDEs. This paper introduces a new form of the MFP KDE that is capable of handling general geometries. Furthermore, extending the MFP KDE to 2-D problems in continuous energy introduces inaccuracies to the solution. An ad-hoc solution to these inaccuracies is introduced that produces errors smaller than 4% at material interfaces.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Exact Gaussian processes for massive datasets via non-stationary sparsity-discovering kernels

Abstract A Gaussian Process (GP) is a prominent mathematical framework for stochastic function approximation in science and engineering applications. Its success is largely attributed to the GP’s analytical tractability, robustness, and natural inclusion of uncertainty quantification. Unfortunately, the use of exact GPs is prohibitively expensive for large datasets due to their unfavorable numerical complexity of $$O(N^3)$$ O ( N 3 ) in computation and $$O(N^2)$$ O ( N 2 ) in storage. All existing methods addressing this issue utilize some form of approximation—usually considering subsets of the full dataset or finding representative pseudo-points that render the covariance matrix well-structured and sparse. These approximate methods can lead to inaccuracies in function approximations and often limit the user’s flexibility in designing expressive kernels. Instead of inducing sparsity via data-point geometry and structure, we propose to take advantage of naturally-occurring sparsity by allowing the kernel to discover—instead of induce—sparse structure. The premise of this paper is that the data sets and physical processes modeled by GPs often exhibit natural or implicit sparsities, but commonly-used kernels do not allow us to exploit such sparsity. The core concept of exact, and at the same time sparse GPs relies on kernel definitions that provide enough flexibility to learn and encode not only non-zero but also zero covariances. This principle of ultra-flexible, compactly-supported, and non-stationary kernels, combined with HPC and constrained optimization, lets us scale exact GPs well beyond 5 million data points.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2012

Multigroup computation of the temperature-dependent Resonance Scattering Model (RSM) and its implementation

A multi-group formulation for the exact neutron elastic scattering kernel is developed. This formulation is intended for implementation into a lattice physics code. The correct accounting for the crystal lattice effects influences the estimated values for the probability of neutron absorption and scattering, which in turn affect the estimation of core reactivity and burnup characteristics. A computer program has been written to test the formulation for various nuclides. Results of the multi-group code have been verified against the correct analytic scattering kernel. In both cases neutrons were started at various energies and temperatures and the corresponding scattering kernels were tallied. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2018

A sparse matrix–vector multiplication based algorithm for accurate density matrix computations on systems of millions of atoms

Here we present an efficient sparse matrix–vector (SpMV) based method to compute the density matrix P from a given Hamiltonian in electronic structure computations. Our method is a hybrid approach based on Chebyshev–Jackson approximation theory and matrix purification methods like the second order spectral projection purification (SP2). Recent methods to compute the density matrix scale as O(N) in the number of floating point operations but are accompanied by large memory and communication overhead, and they are based on iterative use of the sparse matrix–matrix multiplication kernel (SpGEMM), which is known to be computationally irregular. In addition to irregularity in the sparse Hamiltonian H, the nonzero structure of intermediate estimates of P depends on products of H and evolves over the course of computation. On the other hand, an expansion of the density matrix P in terms of Chebyshev polynomials is straightforward and SpMV based; however, the resulting density matrix may not satisfy the required constraints exactly. In this paper, we analyze the strengths and weaknesses of the Chebyshev–Jackson polynomials and the second order spectral projection purification (SP2) method, and propose to combine them so that the accurate density matrix can be computed using the SpMV computational kernel only, and without having to store the density matrix P. Our method accomplishes these objectives by using the Chebyshev polynomial estimate as the initial guess for SP2, which is followed by using sparse matrix–vector multiplications (SpMVs) to replicate the behavior of the SP2 algorithm for purification. We demonstrate the method on a tight-binding model system of an oxide material containing more than 3 million atoms. In addition, we also present the predicted behavior of our method when applied to near-metallic Hamiltonians with a wide energy spectrum.

42 ENGINEERING↗
DOE OSTI2016

CYRANO3 the EDF fuel code performance: Global overview and recent developments on MOX fuel

CYRANO3 is the thermal mechanical industrial code developed and used by EDF to simulate the nuclear fuel rod performance in pile, and during the disposal storage period as well. This code has already been used successfully for the last ten years by the EDF engineering teams in justifying the overall reloading options covering various fuels: UO{sub 2}, UO{sub 2} + gadolinium, MOX, UO{sub 2} plus additives, and various cladding as well proposed by the nuclear fuel suppliers. Its particularity is related to a construction around a standard one-dimensional thermal and mechanical finite elements kernel with an appropriate architecture to plug in any new functionalities or models. Since the beginning it is developed as a module able integrating within a core calculation chain. Other constrain is to always guaranty a running time consistent with the calculation of a core within a reasonable time. The objective is to provide the EDF designers with a convivial and qualified code, with robust algorithms and able to quickly evolve with computer performances. Algorithms are able to account for adiabatic transients and are robust enough to avoid any undesirable overflows. The permanent challenge is indeed to provide with the more descriptive simulations not degrading to much the running time. Developments are obviously performed within the strict Quality Insurance rules. The code is then associated to a large documentation base, including model specification, realization, validation and test procedures. Maintenance is managed through a system of anomaly and improvement forms. Computers are still evolving quickly. Therefore, after an architecture adaptation, the CYRANO3 code is now integrated in the PLEIADES platform as a PWR industrial application. The platform is an exchange space allowing sharing functionalities, models and properties. In this paper, we will give a global overview of the capabilities of CYRANO3 code to simulate the thermomechanical behavior of fuel rods, and we will focus on recent developments realized on MOX fuel. In CYRANO3 code, heterogeneous models (neutronic model, micromechanical behavior law and fission gas model) are developed for MOX fuels and integrated in order to account for differential evolutions between phases under irradiation. The methodology and these models are presented in this paper. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗