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DOE OSTI2024

High-Fidelity Multiphysics Modeling of a Heat Pipe Microreactor Using BlueCrab

Researchers who are actively developing nuclear microreactors are planning to employ innovative designs and features using traditional commercial modeling tools that may be inadequate for their design and licensing activities. The codes developed under the U.S. Department of Energy Office of Nuclear Energy Advanced Modeling and Simulation (NEAMS) program provide flexibility in terms of geometry modeling and multiphysics coupling and are particularly well suited for modeling novel microreactor concepts. To test the maturity of these codes, this paper introduces a conceptual heat pipe microreactor (HP-MR) designed to gather various technologies of interest to microreactor developers such as control drums, heat pipes, and hydride moderators. Here, the objective of this effort is to demonstrate NEAMS tools capability to perform high-fidelity multiphysics simulations, using coupled neutronics (via the Griffin code), heat conduction (via the BISON code), heat pipe modeling (via the Sockeye code), and hydrogen redistribution in hydride metal moderator (via the SWIFT code). Codes are coupled in-memory through the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework, which permits flexible multiphysics data transfer schemes. The analysis confirmed two key aspects of the HP-MR concept: (1) its ability to follow the power load requested from the heat pipe and (2) its ability to avoid heat pipe cascading failure unless designed with high power close to operating failure limits of its heat pipes. The developed computational model was distributed publicly on the Virtual Test Bed for training purposes to accelerate adoption by industry and to provide a high-fidelity multiphysics solution for benchmarking against other tools. Additional multiphysics analyses including other transients and coupled physics were identified as necessary future work, together with a focus on validating multiphysics behavior against experiments.

Microreactor↗

DOE OSTI2020

Direct time-domain determination of electron-phonon coupling strengths in chromium

In this work, we report the results of an ultrafast, direct structural measurement of optically pumped phonons in a Cr thin film using ultrashort x-ray pulses from a free-electron laser. In addition to measuring and confirming the known long-wavelength dispersion relation of Cr along a particular acoustic branch, we are able to determine the relative phase of the phonons as they are generated. The Cr sample exhibits two generation mechanisms for the phonons: the releasing of a preexisting charge density wave at higher frequencies, and the creation of an acoustic strain pulse via laser heating that dominates at lower frequencies. Furthermore, for the latter mechanism, we are able to measure the frequency dependence of the time required to generate the phonons. To explain the observed magnitude and slope of the delays, we perform first-principles simulations in the framework of density functional perturbation theory and ab initio molecular dynamics to fit anharmonic phonon models. In conclusion, these results show that the wave-vector dependence of the electron-phonon coupling is the driving mechanism behind the delay times: Phase-space limitation leads to higher times near the zone center. The absolute magnitudes of the delay times measured are found to be much shorter than the equilibrium electron-phonon coupling times we compute, indicating that the coupling strength is greatly enhanced when the electronic system is out of equilibrium with the lattice, as has been seen in bismuth and other systems.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Temperature Field Reconstruction of Surfaces Heated Through Radiative Heat Transfer Using Convolutional Neural Networks

Microreactors could play a crucial role in decarbonizing our energy portfolio. However, their development and implementation come with specific challenges, particularly regarding cost. Due to their compact size and the harsh operational environment, collecting real-time data on reactor operation can be challenging. Many probe designs are unable to withstand extreme conditions (e.g., temperature, radiation) in the reactor. In this context, using convolutional neural networks (CNNs) can pave the way for developing a nonintrusive approach that relies solely on ex-core sensors. A well-trained physics-informed CNN can reconstruct the distribution of a given physical quantity over a domain using only a few sensors, allowing us to reconstruct the desired field distribution even in a limited space or complex geometries where a large array of sensors is impractical. In this work, we present the initial steps toward developing a real-time tool for monitoring the thermal behavior of nuclear reactor pressure vessels. Based on an experimental setup, a computational model using the Multiphysics Object-Oriented Simulation Environment (moose) framework was built, where the Ray Tracing and Heat Conduction modules were used to evaluate the temperature distribution over a convex metal surface heated through radiative heat transfer. This metal surface represents a section of a heated nuclear reactor vessel wall. The model also accounts for solid mechanics physics through the moose Solid Mechanics module. In situ experimental data, acquired from a Texas A&M facility, were used to validate the computational model. Part of the data generated by the moose model was used to train the convolutional neural network to reconstruct the vessel wall's outer surface temperature. The CNN generalization was then compared against the experimental and computational data.

Aldeia Machado, Luiz Carlos↗

DOE OSTI2021

Yet Another Hauser-Feshbach Code

Code framework to perform simulations of nuclear reactions with incident particles including gammas, protons, neutrons, deuterons, tritons, helium-3, and alphas to develop nuclear data libraries and study nuclear reaction phenomona. The code can model nuclear reactions or initial populations specified by the user. The decays principally follow the compound-nucleus hypothesis and the statistical decay of Hauser and Feshbach. The code models nuclear decays with a Monte Carlo process that tracks the decay of each state. Data libraries are produced that can be translated into GNDS (generalized Nuclear Data Structure). YAHFC can also be used as an event generator, with individual decays written to disk for offline analysis. Both serial and MPI versions are provided. YAHFC does NOT perform transport of nuclear reactions through materials, only the primary reaction with a target material.

Ormand, WilliamE.↗

DOE OSTI2020

Simulation as a sustainable trading zone: Aiming at intergenerational justice

The paper, drawing on the example of simulation codes used in nuclear physics and high-energy physics, seeks to call attention to the ethical implications of discontinuing support for simulation codes and the loss of knowledge embodied in them. Predicated on the concept of trading zones and actor network models, the paper addresses the problem of extinction of simulation codes and attempts to understand their evolution and development within those frameworks. We show that simulation codes of closed type develop to the level of creoles, becoming local languages and standards of scientific centers and disappearing as their few main developers leave, whereas codes of open types become universal languages, imposing problemsolving patterns on the entire community and crowding out other codes. The paper suggests that because of simulations’ reliance on tacit knowledge, practices entrenched in codes cannot be exhaustively explicated or transmitted through writing alone; on the contrary, the life cycle of a simulation code is determined by the life cycle of its trading zone. We examine the extent to which both of these phenomena pose a risk to the preservation of knowledge. Bearing upon intergenerational ethics, we draw analogies between the pure intergenerational problem (PIP) and the problem of preserving the knowledge implemented in simulation codes and transmitting it to future generations. We argue that for the complete transfer of knowledge, it is necessary to develop and maintain inhabitability and sustainability of simulation trading zones in a controllable way, at least until the demand for these codes is warranted to cease in the future.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2021

Stochastic parametric skeletal dosimetry model for humans: General approach and application to active marrow exposure from bone-seeking beta-particle emitters

The objective of this study is to develop a skeleton model for assessing active marrow dose from bone-seeking beta-emitting radionuclides. This article explains the modeling methodology which accounts for individual variability of the macro- and microstructure of bone tissue. Bone sites with active hematopoiesis are assessed by dividing them into small segments described by simple geometric shapes. Spongiosa, which fills the segments, is modeled as an isotropic three-dimensional grid (framework) of rod-like trabeculae that “run through” the bone marrow. Randomized multiple framework deformations are simulated by changing the positions of the grid nodes and the thickness of the rods. Model grid parameters are selected in accordance with the parameters of spongiosa microstructures taken from the published papers. Stochastic modeling of radiation transport in heterogeneous media simulating the distribution of bone tissue and marrow in each of the segments is performed by Monte Carlo methods. Model output for the human femur at different ages is provided as an example. The uncertainty of dosimetric characteristics associated with individual variability of bone structure was evaluated. An advantage of this methodology for the calculation of doses absorbed in the marrow from bone-seeking radionuclides is that it does not require additional studies of autopsy material. The biokinetic model results will be used in the future to calculate individual doses to members of a cohort exposed to 89,90 Sr from liquid radioactive waste discharged to the Techa River by the Mayak Production Association in 1949–1956. Further study of these unique cohorts provides an opportunity to gain more in-depth knowledge about the effects of chronic radiation on the hematopoietic system. In addition, the proposed model can be used to assess the doses to active marrow under any other scenarios of 90 Sr and 89 Sr intake to humans.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

Engineering scale molten salt corrosion and chemistry code development

A new engineering scale transport code Mole is described. Mole was developed using the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework for solving species transport problems in flowing liquid. It is applied to leaching of Cr from alloys into molten salts part a of a multi-physics, multi-scale approach for coupling chemistry with mechanical behavior modeling. Demonstrations of the leaching phenomenon were benchmarked to experimental data provided by the Molten Salt Reactor campaign and the results are presented.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2022

The Distribution System Operator with Transactive (DSO+T) Study

The Distribution System Operator with Transactive (DSO+T) study investigates the engineering and economic performance of a transactive energy retail market coordinating a high penetration of customer-side flexible energy assets. The study seeks to answer whether such an implementation is cost effective for customers, recovers sufficient revenue for DSOs, and is equally applicable and beneficial to a range of flexible asset types, renewable generation scenarios, and market assumptions. Using a highly interdisciplinary co-simulation and valuation framework, this assessment encompasses the entire electrical delivery system from bulk system generation and transmission, through the distribution system, to the modeling of individual customer buildings and flexible assets (including heating, ventilation, and air conditioning [HVAC] units, water heaters, batteries, and electric vehicles). The study exercises a transactive energy retail market coordination scheme designed to integrate with an existing day-ahead and real-time competitive wholesale electricity market. Software decision-making agents are designed for the retail market operator as well as various price-responsive flexible assets. The engineering and economic performance of the transactive energy scheme is studied for two separate flexible asset deployments: flexible loads (HVAC units and residential water heaters) and behind-the-meter batteries. The results of each transactive case are compared to a business-as-usual case. These cases are subject to two different renewable generation scenarios, a moderate renewable generation scenario, representative of current levels of renewable generation deployment, and a future high renewables scenario, including the increased deployment of rooftop solar photovoltaic and electric vehicles. The transactive coordination scheme is shown to produce effective and stable control and decrease peak loads 9–15%. The resulting annual demand flexibility provides net economic savings of $3.3–5.0B per year for a region the size of Texas. Detailed analysis shows that net benefits were seen for a range of distribution system operator, customer, and flexible asset types. Both participating customer (with transactive flexible assets) and nonparticipating customers (with nonflexible assets) see reductions in annual utility bills and net annual energy expenses in the range of 10–16%.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2022

Distribution System Operator with Transactive (DSO+T) Study: Volume 1 (Main Report)

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2022

MOOSE Reactor Module Meshing Enhancements to Support Reactor Physics Analysis

The U.S. Department of Energy Office of Nuclear Energy Advanced Modeling and Simulation (NEAMS) program develops an integrated suite of advanced reactor physics tools built upon the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework. Each code generally requires an input finite element mesh on which the physics solution is calculated, reported, and transferred to other physics codes. The meshing process is often burdensome for the complex geometries present in reactors due to lack of easy-to-use, open-source meshing tools. To address the bottleneck associated with meshing complex geometries found in nuclear reactors, NEAMS initiated the development of the MOOSE Reactor Module starting in FY21. The Reactor Module builds off the existing MOOSE Mesh System to include targeted meshing capabilities such as the ability to generate hexagonal pin cells, assemblies with ducts, rotating control drums, cores, peripheral zones around a core, as well as the automatic labeling (“reporting IDs”) of pin, assembly, and planar zones to simplify post-processing of results. As a Physics Module in MOOSE, the Reactor Module is open-source, available with any MOOSE installation, directly compatible with MOOSE-based tools, and can be invoked from MOOSEbased applications to generate meshes. Functionality from the Reactor Module has been applied to several advanced reactor concepts to demonstrate user workflow improvements and accuracy. The primary objective of the Reactor Module is to improve useability of MOOSEbased tools by streamlining mesh generation and output inspection processes. During FY22, the functionality of the Reactor Module (and accompanying Mesh System) has been expanded based on user needs. First, the Reactor Geometry Mesh Builder capability developed primarily in FY21 has been refactored and merged to the public MOOSE repository. This capability wraps underlying Reactor Module mesh generators into a “Pin – Assembly – Core” workflow appropriate for conventional Cartesian and hexagonal geometries, and notably assigns material IDs during mesh generation stage and generates only the minimal number of blocks needed in order to reduce computational burden. Biasing and boundary layer options have been added to the base mesh generators as required by thermal hydraulics solvers. The reporting ID functionality has been expanded to differentiate ring-wise and azimuthal sectors within a pin for use with depletion algorithms, and VectorPostProcessor and Reporter objects are now available to integrate solution variables across zones based on ID combinations. Functionality to trim hexagonal meshes along the center or periphery has been developed so users may leverage symmetry and reflective boundary conditions to reduce the mesh size. A flexible and powerful tool to fill the space between two sidesets has been introduced to the framework and can be used for transition layers such as stitching two assemblies together with different numbers of pins, or for complex geometries which do not follow conventional Cartesian/hexagonal patterns. Finally, additional verification problems were performed with NEAMS physics tools in complement with existing NEAMS work.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2022

The Influence of Environment on Post-Detonation Chemistry and Debris Formation (Abbreviated Final Report: 20-SI-006)

Predicting, responding to, or interpreting the chemical record preserved in debris derived from nuclear events can be challenging due to chemical fractionation. Chemical fractionation is where different species of the evolving radionuclide inventory segregate and/or are lost from the system over the timescales of debris formation. Both historic data and recent research suggest that the interaction and character of the local environment may exert controls on chemical fractionation by influencing the cooling and evolution of the associated fireball as well as the composition of the vapor term and resultant speciation. Prior to this work, an integrated platform permitting dynamic and concurrent consideration of physical and chemical evolution of early time post-detonation event environments did not exist. Our work merged historic data and experimental approaches to support development of a computational framework able to simulate fundamental processes (e.g., entrainment of local environment, oxidation chemistry, and cooling time scales) that may perturb the radionuclide inventory captured in post-detonation debris. Work with historic debris confirmed that entrained environmental material affect debris composition, structure, and radionuclide incorporation. Complementary work utilizing a readily controllable and tunable benchtop setup (a plasma flow reactor) simulated the late cooling of a nuclear fireball (e.g., T < 6000 K) and bounded the sensitivity of actinide speciation and particle size distribution to variations in oxygen concentration and cooling rates. Concurrent laser ablation and laser heating experiments were used to investigate the chemistry and physics of processes occurring in vaporized and/or rapidly heated actinides and other elements in the presence of oxygen. A more computationally efficient microphysical model was developed for predicting and evolving size distributions of particles forming from mixed vapor terms and simulating particle formation processes under a variety of extreme conditions. Continued study of historic nuclear event film confirmed that shockwave data and physics codes agree to within the uncertainty of the data. Good agreement was achieved for thermal emission from an airburst, however the paucity of low-temperature molecular opacity data for mixtures of air, bomb debris, entrained dirt, and water vapor complicate agreement for more elaborate scenarios. A multiphysics code (ALE3D) was modified to bring the necessary physics and chemistry, including these new data and insights, onto a single platform. Code development included improved initialization of large physical systems, modernization of chemistry capabilities, and modifications to enable inclusion of particle transport.

07 ISOTOPE AND RADIATION SOURCES↗

DOE OSTI2023

Status of Modifications to the AGR-3/4 Fission Product Transport Model

A one-dimensional (1D) finite-element model of the AGR 3/4 experiment fission product distributions based on the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework has been revised and implemented within BISON, with improvements which allow for detailed temperature histories to be used for analyses. Empirically determined concentration profiles and ring inventories from the AGR-3/4 experiment have been compiled for comparison purposes. Ongoing efforts to build fission product diffusion models which can describe the applicable physics for isotopic concentration profiles in each AGR-3/4 capsule are discussed, as well as the suitability of each isotopic concentration profile in each capsule for obtaining transport parameters.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2023

BISON Fuel Fragmentation Relocation and Dispersal (FFRD) Assessment Database for Eventual Use in Bayesian Calibration

Existing light-water reactor (LWR) fuel vendors have been interested in seeking increased discharge burnups of nuclear fuel rods for improved economics for quite a few years. With increased burnups come additional challenges that must be addressed. It has been experimentally observed that average burnups higher than the current regulatory limit of 62 MWd/kgU may undergo fuel fragmentation, relocation, and dispersal (FFRD) during a loss-of-coolant accident (LOCA). Industry must demonstrate approaches to mitigate FFRD. In an effort to support industry, the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program within the U.S. Department of Energy (DOE) has for several years invested in developing multiscale models and creating a validation/assessment database for these models to study the mechanisms driving FFRD. This report provides an update on changes made to the assessment database and new models added to BISON to support the study of fuel rod behavior during FFRD. An effort has been initiated this year to begin adding dedicated inputs to the publicly available Virtual Test Bed (VTB) repository for industry use. A section of this report details the efforts made in this area. NEAMS has recently developed new capabilities in the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework’s stochastic tools module for calibration using Bayesian inference. The goal in the future is to use these capabilities to calibrate and identify weaknesses in the existing BISON models for FFRD. The report concludes with a discussion on the models most likely to benefit the most from such calibration.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Collaborative Research: Vlasov-Maxwell Simulations to Resolve Electron Heating and Dissipation, in Quasi-Perpendicular Shocks

The major goals of the project are to study three fundamental questions related to collisionless, non-relativistic, quasi-perpendicular shocks by combining continuum Vlasov-Maxwell simulations (the Gkeyll framework) and high resolution, in situ heliospheric observations from the MMS spacecraft. The specific questions are: 1. How and where are electrons energized and heated in a quasi-perpendicular shock, including the ultimate source of entropy production? 2. What role do waves, turbulence, and secondary instabilities play in the conversion of directed flow energy to electron energy? 3. How do the parameters of the shock determine the energization of electrons?

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Energetic Particles - microturbulence interaction thrust (EP SIWG white paper)

This white paper outlines a strategic approach to Energetic Particle (EP) research, aimed at applying the results to the future burning devices such as ITER. Our goal is to deepen the understanding of the interplay between plasma background microturbulence and diverse species of energetic ions in burning plasma devices. This strategy is poised to advance our knowledge in this crucial area of fusion science, paving the way for significant breakthroughs in plasma physics and fusion energy research. We consider the confinement of energetic ions such as auxiliary heating beams, minority ions from ICRH, and fusion product alpha particles. Recent studies have underscored the potential of EP/microturbulence interaction to enhance fusion plasma performance by stabilizing microturbulence. However, it also poses risks, such as exacerbating Alfvénic eigenmode (AE) instabilities, which could compromise the sustainability of plasma discharge by causing EP losses. The interplay between EPs and background microturbulence is evident in the phenomenon of effective pitch angle scattering, a crucial aspect of the quasilinear (QL) theory. This theory is integral to developing numerically-efficient yet comprehensive and self-consistent approaches, recently employed to investigate the relaxation of energetic particle populations in the holistic modeling of fusion-grade plasmas. The primary objectives of this white paper thrust encompass a dual focus. First is that we need to delve into the mechanisms through which microturbulence engenders effective pitch angle scattering. This investigation will entail the examination of the presence of known or self-consistently predicted spectra of modes accountable for microturbulence. In these explorations, electrostatic microturbulence serves as a logical initial stride towards achieving the trust's objectives. This endeavor is anticipated to yield formulations expressing the parametric dependencies of the effective pitch angle scattering frequency on variables such as thermal plasma electron and/or ion temperatures, as well as their respective thermal conductivities. In our second objective, we aim to delve into the intricate formation of zonal flow (ZF) structures amidst the complex interplay of microturbulence and Alfvenic eigenmodes (AEs). This endeavor poses greater challenges as we seek to unravel the macroscopic manifestations influenced by microturbulence, termed as zonal structures (ZS), stemming from microturbulence-induced ZF. Drawing from this understanding, we anticipate employing a QL approach to yield comprehensive insights into the distribution function of energetic particles (EP) within phase space. This method entails resolving the dominant multidimensional phase space diffusion processes while effectively averaging over the rapid ballistic responses. Nevertheless, substantial strides remain imperative to realize a comprehensive whole-device modeling framework. This entails meticulous verification and validation exercises against experimental observations, as well as rigorous benchmarking against theoretical frameworks and numerical simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

US-UK fusion energy collaborations in the digital space

The US and UK share the vision for fusion as a vital part of the clean energy future. This vision is reflected in the respective national plans in the form of the Bold Decadal Vision for Commercial Fusion (BDV) in the US and the Spherical Tokamak for Energy Production (STEP) program in the UK. Digital tools such as simulation and control frameworks, design tools, AI/ML, high performance computing (HPC), and virtual reality (VR) will play an important role in developing, diagnosing, operating, and further improving burning-plasma-class fusion power plants. Therefore, a collaborative approach, involving both the public and private sectors, to developing these digital tools can accelerate the path to fusion energy commercialization. In this report we discuss previous and ongoing collaborations and opportunities to expand these collaborations into new areas. We conclude this report with near term actions and a vision of the collaboration to the Joint Coordinating Committee.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

LLNL FESP Theory Highlights: August 2024

The 2024 ABOUND SciDAC and BOUT++ combined workshop was held August 5-9 th 2024 at the University of California Livermore Collaboration Center (UCLC) in Livermore. Bringing together leading scientists and researchers from across the globe, this pivotal event focused on advancing plasma physics and boundary plasma dynamics within the context of fusion energy research. Key discussions throughout the meeting highlighted significant advancements in the BOUT++ framework, including enhanced simulations of small Edge Localized Modes (ELMs) and the initiation of integrating the integration of the 5D GEM gyrokinetic turbulence core code with the 2D SOLPS-ITER boundary transport code. These developments are crucial for managing heat loads in fusion reactors and supporting the longevity of plasma-facing components. The event also featured a session on Inter-SciDAC Collaborations, where principal investigators from multiple U.S. FES SciDAC tokamak projects explored opportunities for cross-collaboration. Additionally, the meeting showcased cutting-edge advancements in GPU acceleration and AI/ML technologies, poised to drive the next generation of fusion research. In his closing remarks, Dr. Xueqiao Xu emphasized the importance of the collaborative efforts and discussions that took place, noting their potential to shape future breakthroughs in fusion energy. The event underscored the global nature of the BOUT++ collaboration, with contributions from over 57 institutions worldwide. The 2024 BOUT++ and ABOUND Joint Hybrid Meeting continues to drive forward the research and innovations needed to achieve fusion energy, setting the stage for future collaboration and discovery.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Comprehensive Neural Posterior Estimation for Galaxy-Galaxy Strong Lensing

We present a deep learning model based on neural posterior estimation (NPE) for comprehensive extraction of astrophysical parameters from galaxy-scale strong gravitational lenses. The unprecedentedly large amount of galaxy-scale strong lenses expected in future cosmological surveys (${\cal O}(10^5)$) promises to enable valuable statistical constraints in various studies ranging from galaxy formation to the nature of dark matter, but it also poses a significant challenge for traditional modelling pipelines. To this end, our automated model includes several new, state-of-the-art features and approaches leveraging the framework of simulation-based inference (SBI). We infer a total of 20 parameters describing the mass and light profiles of both lens and source galaxies, using simulated raw multi-band data modelled under noise and observing conditions expected by the Legacy Survey of Space and Time (LSST), with its summary statistics generated by a residual network. We examine the efficacy of multi-band data in extracting nearly 20 model parameters simultaneous from strong lensing images including lens light. Finally, We perform a comprehensive set of diagnostics for SBI models, evaluating the model's prediction accuracy, stability, and uncertainty quantification.