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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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At least 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Modeling of the oxygen reduction reaction for dense LSM thin films

In this study, the oxygen reduction reaction mechanism is investigated using numerical methods on a dense thin (La 1-x Sr x ) y MnO 3±δ film deposited on a YSZ substrate. This 1-D continuum model consists of defect chemistry and elementary oxygen reduction reaction steps coupled via reaction rates. The defect chemistry model contains eight species including cation vacancies on the A- and B-sites. The oxygen vacancy is calculated by solving species transportation equations in multiphysics simulations. Due to the simple geometry of a dense thin film, the oxygen reduction reaction was reduced to three elementary steps: surface adsorption and dissociation, incorporation on the surface, and charge transfer across the LSM/YSZ interface. The numerical simulations allow for calculation of the temperature- and oxygen partial pressure-dependent properties of LSM. The parameters of the model are calibrated with experimental impedance data for various oxygen partial pressures at different temperatures. The results indicate that surface adsorption and dissociation is the rate-determining step in the ORR of LSM thin films. With the fine-tuned parameters, further quantitative analysis is performed. The activation energy of the oxygen exchange reaction and the dependence of oxygen non-stoichiometry on oxygen partial pressure are also calculated and verified using the literature results.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Validation of NEAMS Tools Using MSRE Data

This report documents the benchmarks developed and performed for the tools and codes developed under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program utilizing the MSRE experiment data. There are three focus areas explored in this work: fuel evolution, CFD, and system transient analyses. Fuel depletion is important for MSR reactor physics and fuel cycle analysis. Fuel depletion capability is currently being developed in the Griffin reactor physics code. To support this, a benchmark problem is developed using the MSRE data and an existing depletion code with flowing fuel analysis functionality (ADDER) to validate this new capability in Griffin. The ADDER calculation is compared with the TRITON-MSR results as well as the MSRE experimental data. This benchmark can be directly used to verify and validate the Griffin fuel depletion capability in future years. For CFD simulation, the MSRE CAD model is obtained from the Copenhagen Atomics and a mesh is generated for the MSRE inlet plenum. The Nek5000 code will be employed to find the flow distribution in the MSRE inlet plenum based on the mesh generated. For system analysis, a simple benchmark problem for three types of MSR system transients is developed. The SAM and SPECTRA codes are used to solve the simple problem, and the results from the two codes agree well. The SAM code is also employed to obtain the frequency response of the MSRE system at the 5 and 8 MWt power levels. The results agree well with the experiment measurements. These verification and validation efforts gives SAM users more confidence in MSR system transient simulations using SAM. Lastly, the SAM-Griffin Multiphysics coupling work is initiated. A simple one-way coupling of evaluating the precursor drift effect on the MSRE k-eff is demonstrated. This preliminary coupling work serves as the basis for future more complex Multiphysics simulation and modelling.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Coupled Neutronics - Thermal-Hydraulics - Thermomechanics modeling of Molten Chloride Reactor

Molten Salt Reactors (MSRs) are innovative Generation-IV nuclear reactors known for their enhanced safety features, fuel economy, and fuel cycle advancements. However, designing and studying these reactors present unique safety and modeling challenges. The Department of Energy (DOE)'s Nuclear Energy Advanced Modeling and Simulation program addresses these challenges through the development of flexible multi-fidelity, multiphysics simulation tools. This study exemplifies NEAMS tools' capabilities by modeling a chloride-based micro-MSR: Griffin for neutronics simulations, Pronghorn for thermal-hydraulics simulations, and BISON for thermomechanics simulations. These tools are integrated into a comprehensive 3D multiphysics model, successfully capturing steady-state and transient reactor operations. A loss of flow accident is examined as an illustrative example of transient behavior. Additionally, this paper contributes to demonstrating the theoretical feasibility of micro-MSR concepts, which have received less attention compared to other designs. The subsequent sections provide a brief description of the MSR concept studied, an overview of the computational tools used, and present results for both steady-state operation and a loss of flow accident.

42 - ENGINEERING↗
DOE OSTI2022

A multiphysics model of the versatile test reactor based on the MOOSE framework

The traditional modeling approach for sodium fast reactor cores relies on separate physics models, where the fuel performance, thermal–hydraulics, and neutronics calculations required to predict the core physics characteristics for nominal conditions are decoupled by relying on user-imposed boundary conditions. Here, this paper aims at evaluating the impact of multiphysics simulations for predicting the core characteristics of the Versatile Test Reactor, which is being designed as a 300-MWt sodium-cooled fast reactor. The purpose of the Versatile Test Reactor is to accelerate the testing of advanced nuclear materials in the United States. The proposed multiphysics model relies on the Griffin reactor physics code, the SAM thermal–hydraulic system code, the BISON fuel performance code, as well as generic Multiphysics Object-Oriented Simulation Environment capabilities implemented in the open-source tensor mechanics module. For k eff calculations, the introduction of a tight coupling between the neutronics, thermo-mechanical and thermal–hydraulics models induces a change of around 543 pcm in the eigenvalue, compared to the traditional standalone neutronics calculation where approximate temperature profiles are used. The multiphysics model is then employed for quantifying the impact of the thermal conductivity uncertainties on some of the key figures of merit, such as the fuel centerline temperature, assembly powers, and keff for nominal core conditions. As anticipated, uncertainties on fuel thermal conductivity mostly impact the fuel centerline temperature, and to a lesser extend the k eff .

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2015

Executing BISON-CASL Fuel Performance Cases Using VERA-CS Output

As the Consortium for Advanced Simulation of Light Water Reactors (CASL) moves forward with more complex multiphysics simulations, there is increased focus on incorporating fuel performance analysis methods. The coupled neutronics/thermal-hydraulics capabilities within the Virtual Environment for Reactor Applications Core Simulator (VERA-CS) have become relatively stable and major advances have been made in analysis efforts, including the simulations of twelve cycles of Watts Bar Nuclear Unit 1 (WBN1) operation. However, VERA-CS approaches for treating fuel pin heat transfer have well-known limitations that could be eliminated through better integration with the BISON-CASL fuel performance code. Several approaches are being taken to improve or replace the VERA-CS fuel models and improve integration with BISON-CASL. Tiamat is being developed to replace the fuel models with a direct coupling of BISON-CASL and the neutronics and coolant heat transfer of VERA-CS. Tiamat will execute in an inline mode that allows for in-memory transfer of VERA-CS data to BISON-CASL. This will provide fuel performance results during core simulation. However, fuel performance typically undergoes an independent analysis using a stand-alone fuel performance code with manually specified input defined from an independent core simulator solution or set of assumptions. This milestone covers initial efforts to facilitate using VERA for core simulation and fuel performance to operate in this mode of execution. This approach will be used for several CASL fuel performance challenges, such as RIAs and DNB. These issues require time-dependent full core results to establish the boundary conditions for the high-fidelity BISON-CASL simulations. The approach will also be used to improve fuel temperature models in VERA-CS, guide the development of Tiamat, and simplify the use of BISON-CASL within VERA for industry users.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2017

Pellet-clad mechanical interaction screening using VERA applied to Watts Bar Unit 1, Cycles 1–3

The Consortium for Advanced Simulation of Light Water Reactors (CASL) aims to provide high-fidelity multiphysics simulations of light water nuclear reactors. To accomplish this, CASL is developing the Virtual Environment for Reactor Applications (VERA), which is a suite of code packages for thermal hydraulics, neutron transport, fuel performance, and coolant chemistry. As VERA continues to grow and expand, there has been an increased focus on incorporating fuel performance analysis methods. One of the primary goals of CASL is to estimate local cladding failure probability through pellet-clad interaction, which consists of both pellet-clad mechanical interaction (PCMI) and stress corrosion cracking. Estimating clad failure is important to preventing release of fission products to the primary system and accurate estimates could prove useful in establishing less conservative power ramp rates or when considering load-follow operations.While this capability is being pursued through several different approaches, the procedure presented in this article focuses on running independent fuel performance calculations with BISON using a file-based one-way coupling based on multicycle output data from high fidelity, pin-resolved coupled neutron transport–thermal hydraulics simulations. This type of approach is consistent with traditional fuel performance analysis methods, which are typically separate from core simulation analyses. A more tightly coupled approach is currently being developed, which is the ultimate target application in CASL.Recent work simulating 12 cycles of Watts Bar Unit 1 with VERA core simulator are capitalized upon, and quarter-core BISON results for parameters of interest to PCMI (maximum centerline fuel temperature, maximum clad hoop stress, and minimum gap size) are presented for Cycles 1–3. In conclusion, based on these results, this capability demonstrates its value and how it could be used as a screening tool for gathering insight into PCMI, singling out limiting rods for further, more detailed analysis.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2013

MOOSE Enhancements Towards Delivery of an Integrated Framework

Started in 2008, the Mulitphysics Object Oriented Simulation Environment (MOOSE) project delivers a comprehensive framework for development of parallel, multiphysics simulation tools. MOOSE provides an object-oriented interface that allows scientists and engineers to quickly and efficiently describe all aspects of a physical system relevant to numerical modeling. The MOOSE software development strategy has been quite successful: over thirty different MOOSE-based applications are under development both internally and outside the DOE complex, and over forty different external institutions have licensed MOOSE. Several NEAMS products have been built using MOOSE, including BISON (Williamson et. al., 2012), MARMOT (Tonks et. al., 2012), RELAP-7 (Zou et. al., 2013) and RAVEN (Rabiti, 2013).

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2016

Standalone BISON Fuel Performance Results for Watts Bar Unit 1, Cycles 1-3

The Consortium for Advanced Simulation of Light Water Reactors (CASL) is moving forward with more complex multiphysics simulations and increased focus on incorporating fuel performance analysis methods. The coupled neutronics/thermal-hydraulics capabilities within the Virtual Environment for Reactor Applications Core Simulator (VERA-CS) have become relatively stable, and major advances have been made in analysis efforts, including the simulation of twelve cycles of Watts Bar Nuclear Unit 1 (WBN1) operation. While this is a major achievement, the VERA-CS approaches for treating fuel pin heat transfer have well-known limitations that could be eliminated through better integration with the BISON fuel performance code. Several approaches are being implemented to consider fuel performance, including a more direct multiway coupling with Tiamat, as well as a more loosely coupled one-way approach with standalone BISON cases. Fuel performance typically undergoes an independent analysis using a standalone fuel performance code with manually specified input defined from an independent core simulator solution or set of assumptions. This report summarizes the improvements made since the initial milestone to execute BISON from VERA-CS output. Many of these improvements were prompted through tighter collaboration with the BISON development team at Idaho National Laboratory (INL). A brief description of WBN1 and some of the VERA-CS data used to simulate it are presented. Data from a small mesh sensitivity study are shown, which helps justify the mesh parameters used in this work. The multi-cycle results are presented, followed by the results for the first three cycles of WBN1 operation, particularly the parameters of interest to pellet-clad interaction (PCI) screening (fuel-clad gap closure, maximum centerline fuel temperature, maximum/minimum clad hoop stress, and cumulative damage index). Once the mechanics of this capability are functioning, future work will target cycles with known or suspected PCI failures to determine how well they can be estimated.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2016

Standalone BISON Fuel Performance Results for Watts Bar Unit 1, Cycles 1-3

The Consortium for Advanced Simulation of Light Water Reactors (CASL) is moving forward with more complex multiphysics simulations and increased focus on incorporating fuel performance analysis methods. The coupled neutronics/thermal-hydraulics capabilities within the Virtual Environment for Reactor Applications Core Simulator (VERA-CS) have become relatively stable, and major advances have been made in analysis efforts, including the simulation of twelve cycles of Watts Bar Nuclear Unit 1 (WBN1) operation. While this is a major achievement, the VERA-CS approaches for treating fuel pin heat transfer have well-known limitations that could be eliminated through better integration with the BISON fuel performance code.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2015

Assessment of Pellet-Clad Interaction Indicators in Watts Bar Unit 1 using the VERA Framework

The Consortium for Advanced Simulation of Light Water Reactors (CASL) aims to provide high-fidelity, multiphysics simulations of light water reactors (LWRs) by coupling a variety of codes within the Virtual Environment for Reactor Analysis (VERA). One of the primary goals of CASL is to predict local cladding failure through pellet-clad interaction (PCI). This capability is currently being pursued through several different approaches, such as with Tiamat, which is a simulation tool within VERA that more tightly couples the MPACT neutron transport solver, the CTF thermal hydraulics solver, and the MOOSE-based Bison-CASL fuel performance code. However, the process in this paper focuses on running fuel performance calculations with Bison-CASL to predict PCI using the multicycle output data from coupled neutron transport/thermal hydraulics simulations. In recent work within CASL, Watts Bar Unit 1 has been simulated over 12 cycles using the VERA core simulator capability based on MPACT and CTF. Using the output from these simulations, Bison-CASL results can be obtained without rerunning all 12 cycles, while providing some insight into PCI indicators. Multi-cycle Bison-CASL results are presented and compared against results from the FRAPCON fuel performance code. There are several quantities of interest in considering PCI and subsequent fuel rod failures, such as the clad hoop stress and maximum centerline fuel temperature, particularly as a function of time. Bison-CASL performs single-rod simulations using representative power and temperature distributions, providing high-resolution results for these and a number of other quantities. This will assist in identifying fuels rods as potential failure locations for use in further analyses.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

Review of recent activities with MOOSE, an open-source finite element & finite volume multi-fidelity simulation framework

Modeling and simulation are an increasing part of engineering. This is undoubtedly driven by the high costs of constructing experimental facilities, but also enabled by the exponential increase in computing powers over the last decades, which allows computational models to be closer than ever to reality. One of the main drivers for the development of MOOSE is supporting advanced nuclear reactor simulations. A challenging aspect of modeling advanced nuclear reactors is the plurality of physics involved, including neutronics, thermal hydraulics and fuel performance. These physics are all coupled to some extent and are generally solved in a sequential but iterative fashion. The United States (U.S.) national laboratories have been developing MOOSE, an open source multiphysics framework since its inception at the Idaho National Laboratory (INL) in 2008. This framework enables seamless coupling of multiphysics simulations and facilitates the implementation of new physics and material governing laws. It is continuously expanded with novel numerical methods and new pre-implemented physics module. Numerous applications, developed within the Department of Energy (DOE) laboratories, academia, and industry, including outside of nuclear engineering, have been developed to study specialized physics problems. International collaborations are welcome on this open-source modeling and simulation project.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Data transfers for full core heterogeneous reactor high- fidelity multiphysics studies

Multiphysics simulations for nuclear reactor analysis are usually performed by resorting to operator splitting and fixed point iterations between single-physics solvers. This enables the separate solution of each physics, such as neutronics, fuel performance, and thermal hydraulics, on meshes tailored to the requirements of the respective numerical discretizations of the equations. As the equations are coupled, several fields must be transferred between single-physics solves. Projecting fields between meshes while preserving order of accuracy, conservation properties, and mapping non-overlapping geometries is a complex endeavor. This conference paper will present the transfers as implemented in MOOSE, which can handle arbitrary meshes, arbitrary mappings, conservation of integral quantities, and are made to scale with distributed simulations on both ends of the transfers. Their adequacy for advanced nuclear reactor multiphysics coupling is shown through examples and numerical studies.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Modeling of the Advanced Test Reactor Using OpenMC, Cubit and Griffin

In the pursuit of the ability to perform multiphysics simulations of the Advanced Test Reactor, it is crucial to have a fast and highly accurate deterministic model. To achieve this, a contemporary two-step method is employed. The first step involves generating homogenized cross sections using OpenMC, a cutting-edge Monte Carlo neutron transport code. OpenMC offers excellent modular capabilities, allowing for easy component integration and flexibility in incorporating new designs into the model. The second step involves deterministic transport calculations, which are performed using Griffin, a reactor multiphysics application based on the Multiphysics Object-Oriented Simulation Environment. To ensure the accurate spatial resolution and assignment of material cross sections, a Cubit-generated mesh for the Advanced Test Reactor is utilized as an intermediate step between the OpenMC and Griffin models; Griffin utilizes the mesh for its finite element solution, while OpenMC material IDs are written to the mesh file to be used in Griffin material assignments. Additionally, a Python-based script converts the cross sections generated by OpenMC into the ISOXML format required by Griffin. Preliminary comparisons indicate good agreement between the neutron multiplication factors obtained from the standalone OpenMC model and the Griffin model, with differences of less than 50 pcm in the two-dimensional geometry configuration. However, in three-dimensional calculations, an unacceptably large error is found in the Griffin solution. Future work is planned to resolve this discrepancy.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

Processing MCNP Elemental Edit Outputs

The Monte Carlo N-Particle (MCNP) transport code version 6 (also known as MCNP6) has the capability for tracking particles on unstructured mesh (UM) geometry models embedded into constructive solid geometry (CSG) cells. A UM geometry is a collection of elements representing a solid geometry. The first step of MCNP UM modeling is using other software packages to create a finite element mesh representation of a solid 3D geometry. Computer-aided design (CAD) or computer-aided manufacturing (CAM) software is typically used to create a solid geometry model, which is later imported into mesh generation software to create a UM model. The MCNP UM feature was originally designed for models generated by the Abaqus/CAE software. The MCNP code version 6.0 and later can process UM models formatted as Abaqus input files. MCNP can process a UM model consisting of several different element types including linear tetrahedral or hexahedral elements and calculate quantities of interest such as flux and energy deposition at elements. An MCNP UM simulation provides high-fidelity elemental edit (i.e., tally) outputs, which can be further used in multiphysics calculations. The MCNP UM feature was used for multiphysics simulations where quantities of interest calculated by MCNP are used as inputs for heat transfer calculations in Abaqus. MCNP6.3 can produce two types of elemental edit output (EEOUT) file formats: ASCII and HDF5. An EEOUT file type must be requested on an EMBED card while output type (flux or energy deposition) must be requested on an EMBEE card. We wrote Python3 scripts to extract energy deposition values in an ASCII or HDF5 EEOUT file and compute a heat flux profile for an Abaqus heat transfer calculation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Release on the Virtual Test Bed of a Molten Salt Reactor Experiment SAM-Pronghorn Coupled Model using the Domain Overlapping Approach

The nuclear industry is taking leaps in innovations with companies seeking a sustainable energy future through advanced nuclear reactors. The Department of Energy (DOE)’s Nuclear Energy Advanced Modeling and Simulation (NEAMS) program seeks to substantiate and bolster the deployment of advanced reactors through flexible multifidelity, multiphysics simulations of advanced nuclear reactors. Applications like SAM for one-dimensional systems thermalhydraulics, and Pronghorn for multidimensional coarse mesh thermal-hydraulics, are geared to support innovations in industry by facilitating design, optimization, and licensing of advanced nuclear reactors. Coupling systems thermal-hydraulics and computational fluid dynamics codes can be difficult as the pressure coupling converges slowly; however, it is important to obtain the desired accuracy in each part of the primary loop. The authors of this model created an Overlapping-Domain Coupling (ODC) approach to coupling SAM and Pronghorn. Leveraging this coupling technique, a Molten Salt Reactor Experiment (MSRE) model was developed and released to the NEAMS/National Reactor Innovation Center (NRIC) Virtual Test Bed (VTB). The MSRE was chosen to be modeled because of the wealth of experimental data available and because of the strong physics coupling between the core and primary circuit. This paper contextualizes the history of the MSRE, describes the thermal hydraulics models used, and detail the implementation of multidimensional thermal-hydraulics and system codes based on the ODC method for the MSRE model. Finally, this paper presents how other modelers could apply the SAM Pronghorn ODC for other advanced reactor models.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2012

Assessment of PCMI Simulation Using the Multidimensional Multiphysics BISON Fuel Performance Code

Since 2008, the Idaho National Laboratory (INL) has been developing a next-generation nuclear fuel performance code called BISON. BISON is built using INL’s Multiphysics Object-Oriented Simulation Environment, or MOOSE. MOOSE is a massively parallel, finite element-based framework to solve systems of coupled non-linear partial differential equations using the Jacobian-FreeNewton Krylov (JFNK) method. MOOSE supports the use of complex two- and three-dimensional meshes and uses implicit time integration, which is important for the widely varied time scales in nuclear fuel simulation. MOOSE’s object-oriented architecture minimizes the programming required to add new physics models. BISON has been applied to various nuclear fuel problems to assess the accuracy of its 2D and 3D capabilities. The benchmark results used in this assessment range from simulation results from other fuel performance codes to measurements from well-known and documented reactor experiments. An example of a well-documented experiment used in this assessment is the Third Risø Fission Gas Project, referred to as “Bump Test GE7”, which was performed on rod ZX115. This experiment was chosen because it allows for an evaluation of several aspects of the code, including fully coupled thermo-mechanics, contact, and several nonlinear material models. Bump Test GE7 consists of a base-irradiation period of a full-length rod in the Quad-Cities-1 BWR for nearly 7 years to a burnup of 4.17% FIMA. The base irradiation test is followed by a “bump test” of a sub-section of the original rod. The bump test takes place in the test reactor DR3 at Risø in a water-cooled HP1 rig under BWR conditions where the power level is increased by about 50% over base irradiation levels in the span of several hours. During base irradiation, the axial power profile is flat. During the bump test, the axial power profile changes so that the bottom half of the rod is at approximately 50% higher power than at the base irradiation level, while the power at the top of the rod is at about 20% of the base irradiation power level. 2D BISON simulations of the Bump Test GE7 were run using both discrete and smeared pellet geometry. Comparisons between these calculations and experimental measurements are presented for clad diameter and elongation after the base irradiation and clad profile along the length of the test section after the bump test. Preliminary comparisons between calculations and measurements are favorable, supporting the use of BISON as an accurate multiphysics fuel simulation tool.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Isopod (inverse Optimization And Design): Moose-based Application For Performing Inverse Optimization On Multiphysics Modeling And Simulation

ISOPOD (InverSe OPtimizatiOn and Design) will be a MOOSE (Multiphysics Object Oriented Simulation Environment)-based framework which will iteratively estimate the parameters by minimizing the difference between simulated and experimental observables. While inverse optimization has long been used for parameter estimation, the unique feature of ISOPOD is rapid solution of new inverse problems, leading to accelerated Research, Development and Demonstration (RD&D) for complex parameter estimation problems. This will be achieved by extending the software structure of MOOSE to inverse optimization, as well as building on the unique automatic differentiation feature of MOOSE.

Munday, LynnB↗
DOE OSTI2022

Improved Axisymmetric and High Temperature Material Structural Modeling in MOOSE and NEML

This report describes improvements made to the solid mechanics formulation in the MOOSE open source finite element simulation environment and the open source Nuclear Engineering Material model Library (NEML) for mechanical constitutive models. The focus of these improvements is to improve the usability and performance of simulations involving one or both pieces of software. Specifically, this work completes a new system for solid mechanics simulations in the MOOSE ecosystem providing exact linearizations and optimal (quadratic) convergence, for a variety of coordinate systems and material types, including large deformation simulations. This work then provides users a framework to build highly efficient mechanical simulations of structures or materials or to couple in additional MOOSE physics modules to build complex, scalable multiphysics simulations.

36 MATERIALS SCIENCE↗