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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

cabbi-bio/BECT-ABM

The emergence of the cellulosic bioeconomy requires not only adequate technological, economic, and policy advances, but also effective communication and coordination among the multiple stakeholders in the bioeconomy community. Aiming to facilitate stakeholder communication and collaboration for cellulosic bioeconomy growth, an agent-based model is developed as a community communication tool in this study. The tool simulates the behaviors and interactions of key stakeholders, as well as the responses and interactions between the stakeholders and biophysical, socioeconomic, and environmental conditions. The agent behavior rules are developed and validated based on behavior and economic theories and information attained from a stakeholder focus group study and a land use survey.

Yang, Pan↗
DOE OSTI2021

AI-Batt (Autonomous Identification of Battery Life Models) [SWR 21-36]

Autonomous Identification of Battery Life Models (AI-Batt) AI-Batt is a MATLAB code base for developing lifetime models for batteries from accelerated aging data. The code base provides many functions for processing, visualizing, and modeling battery aging data, making the data processing, exploration, and modeling workflow substantially faster. These tools are tailored for working with battery aging data sets, which usually consist of many separate time-series for each cell, with many test conditions and possible replicates at each condition, which makes it difficult to simply process or visualize the data set. Complex modeling tasks, such as cross-validation, sensitivity analysis, and uncertainty quantification have been implemented to enable thorough statistical investigation of model predictions. Additionally, several machine-learning algorithms are implemented to autonomously identify suitable models via symbolic regression. Data processing functions automatically cast data from the struct data type, which is commonly used to store experimental data, but is not an acceptable input for most algorithms, to the table data type, which can be easily used as input to any optimization algorithm. Also, the data can be separated into time-invariant and time-variant data tables, which is helpful for exploring the data set as well as developing separate models for time-variant and time-invariant aging mechanisms. For example, in aging tests with constant temperature, temperature is a time-invariant experimental condition. Visualization tools enable plotting of data, model fits, and model simulations possible with single-line function calls, empowering data exploration of complex data sets with both time-varying and time-invariant trends. Plots can be automatically generated for the whole data set, or separated by data group (groups of test replicates) or individual data series. Data points or data series can be automatically colored by the value of a variable with a variety of color maps, and model predictions can also be colored by the value of a fit statistic. Comparisons between data sets and the predictions/simulations of different models on the same data set can be easily plotted as well. Distributions of parameter values from bootstrap resampling can be plotted to visualize the reliability of parameter estimation, or determine any correlations between parameters. Modeling tools handle the complex task of creating and parsing symbolic equations for modeling battery lifetime. Equations are parsed to grab relevant data variables, parameter values, or specified sub-models for input into optimization, evaluation, or simulation functions. Models can be optimized locally (one set of parameters for each data series), bi-level (some parameters shared across the data set), or globally (single set of parameters for all data). Functions implementing symbolic regression algorithms help users to discover effective model equations, even in poorly sampled, high-dimensional data.

Smith, Kandler↗
DOE OSTI2012

Fluid structure interaction modelling for the vibration of tube bundles, part I: analysis of the fluid flow in a tube bundle

It is well known that a fluid may strongly influence the dynamic behaviour of a structure. Many different physical phenomena may take place, depending on the conditions: fluid flow, fluid at rest, little or high displacements of the structure. Inertial effects can take place, with lower vibration frequencies, dissipative effects also, with damping, instabilities due to the fluid flow (Fluid Induced Vibration). In this last case the structure is excited by the fluid. Tube bundles structures are very common in the nuclear industry. The reactor cores and the steam generators are both structures immersed in a fluid which may be submitted to a seismic excitation or an impact. In this case the structure moves under an external excitation, and the movement is influence by the fluid. The main point in such system is that the geometry is complex, and could lead to very huge sizes for a numerical analysis. Homogenization models have been developed based on the Euler equations for the fluid. Only inertial effects are taken into account. A next step in the modelling is to build models based on the homogenization of the Navier-Stokes equations. The papers presents results on an important step in the development of such model: the analysis of the fluid flow in a oscillating tube bundle. The analysis are made from the results of simulations based on the Navier-Stokes equations for the fluid. Comparisons are made with the case of the oscillations of a single tube, for which a lot of results are available in the literature. Different fluid flow pattern may be found, depending in the Reynolds number (related to the velocity of the bundle) and the Keulegan Carpenter number (related to the displacement of the bundle). A special attention is paid to the quantification of the inertial and dissipative effects, and to the forces exchanges between the bundle and the fluid. The results of such analysis will be used in the building of models based on the homogenization of the Navier-Stokes equations for the fluid. (authors)

42 ENGINEERING↗
DOE OSTI2016

Rate Theory Modeling and Simulation of Silicide Fuel at LWR Conditions

As a promising candidate for the accident tolerant fuel (ATF) used in light water reactors (LWRs), the fuel performance of uranium silicide (U 3 Si 2 ) at LWR conditions needs to be well understood. In this report, rate theory model was developed based on existing experimental data and density functional theory (DFT) calculations so as to predict the fission gas behavior in U 3 Si 2 at LWR conditions. The fission gas behavior of U 3 Si 2 can be divided into three temperature regimes. During steady-state operation, the majority of the fission gas stays in intragranular bubbles, whereas the dominance of intergranular bubbles and fission gas release only occurs beyond 1000 K. The steady-state rate theory model was also used as reference to establish a gaseous swelling correlation of U 3 Si 2 for the BISON code. Meanwhile, the overpressurized bubble model was also developed so that the fission gas behavior at LOCA can be simulated. LOCA simulation showed that intragranular bubbles are still dominant after a 70 second LOCA, resulting in a controllable gaseous swelling. The fission gas behavior of U 3 Si 2 at LWR conditions is benign according to the rate theory prediction at both steady-state and LOCA conditions, which provides important references to the qualification of U 3 Si 2 as a LWR fuel material with excellent fuel performance and enhanced accident tolerance.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS2011

Predictive Models of Duration of Ground Delay Programs in New York Area Airports

Initially planned GDP duration often turns out to be an underestimate or an overestimate of the actual GDP duration. This, in turn, results in avoidable airborne or ground delays in the system. Therefore, better models of actual duration have the potential of reducing delays in the system. The overall objective of this study is to develop such models based on logs of GDPs. In a previous report, we described descriptive models of Ground Delay Programs. These models were defined in terms of initial planned duration and in terms of categorical variables. These descriptive models are good at characterizing the historical errors in planned GDP durations. This paper focuses on developing predictive models of GDP duration. Traffic Management Initiatives (TMI) are logged by Air Traffic Control facilities with The National Traffic Management Log (NTML) which is a single system for automated recoding, coordination, and distribution of relevant information about TMIs throughout the National Airspace System. (Brickman, 2004 Yuditsky, 2007) We use 2008-2009 GDP data from the NTML database for the study reported in this paper. NTML information about a GDP includes the initial specification, possibly one or more revisions, and the cancellation. In the next section, we describe general characteristics of Ground Delay Programs. In the third section, we develop models of actual duration. In the fourth section, we compare predictive performance of these models. The final section is a conclusion.

Kulkarni, Deepak↗
DOE OSTI2016

Development of an Agent-based Model to Analyze Contemporary Helium Markets

Although U.S. helium demand has remained relatively flat since 2009, exports of helium have increased significantly since then, driven primarily by demand for electronic and semiconductor manufacturing in Asia. In the midst of this global demand shift, the Helium Act dictates a new procedure for pricing and distributing the gas through a reserve that historically functioned as a loose “oligarchy.” The new procedure requires prices to be determined by the open market through auctions and a survey of market prices, as opposed to increasing prices according to the consumer price index. Response to these changes has caused temporary shortages, price increases, and a significant increase in the development of the helium extraction technologies used to produce helium from formerly marginal sources. Technologies are being developed and refined to extract helium from formerly low-yielding natural gas fields containing much lower amounts of helium than the previously considered economic threshold of 0.3%. Combining these transformative policies with the potential for new and significant global supplies from Qatar, Algeria, and Russia could lead to new and unforeseen market behaviors and reactions from global helium markets. The objective of the project is to analyze the global helium markets.

99 GENERAL AND MISCELLANEOUS↗
NASA NTRS1991

Development of braided rope seals for hypersonic engine applications. Part 2: Flow modeling

Two models based on the Kozeny-Carmen equation were developed to analyze the fluid flow through a new class of braided rope seals under development for advanced hypersonic engines. A hybrid seal geometry consisting of a braided sleeve and a substantial amount of longitudinal fibers with high packing density was selected for development based on its low leakage rates. The models developed allow prediction of the gas leakage rate as a function of fiber diameter, fiber packing density, gas properties, and pressure drop across the seal.

Mutharasan, Rajakkannu↗
DOE OSTI2024

Empirical Dynamic Modeling Reveals Complexity of Methane Fluxes in a Temperate Salt Marsh

Abstract Methane dynamics within salt marshes are complex because vegetation types, temperature, oscillating water levels, and changes in salinity and redox conditions influence CH 4 production, consumption, oxidation, and emissions. These non‐linear and complex interactions among variables affect the traditionally expected functional relationships and present challenges for interpreting and developing process‐based models. We employed empirical dynamic modeling (EDM) and convergent cross mapping (CCM) as a novel approach for characterizing seasonal/multiday and diurnal CH 4 dynamics by inferring causal variables, lags, and interconnections among multiple biophysical variables within a temperate salt marsh using 5 years of eddy covariance data. EDM/CCM is a nonparametric approach capable of quantifying the coupling between variables while determining time scales where variable interactions are the most relevant. We found that gross primary productivity, tidal creek dissolved oxygen, and temperature were important for seasonal/multiday dynamics (rho = 0.73–0.80), while water level was most important for diurnal dynamics during both the growing and dormancy phenoperiods (rho = 0.72 and 0.56, respectively). Lags for the top‐ranked variables (i.e., gross primary productivity, dissolved oxygen, temperature, water level) occurred between 1 and 5 weeks at the seasonal scale and 1–24 hr at the diurnal scale. The EDM had high prediction capabilities for intra‐/inter‐seasonal patterns and annual CH 4 sums but had limitations in representing large, infrequent fluxes. Results highlight the importance of non‐linearity, drivers, lag times, and interconnections among multiple biophysical variables that regulate CH 4 fluxes in tidal wetlands. This research introduces a novel approach to examining CH 4 fluxes, which will aid in evaluating current paradigms in wetlands and other ecosystems.

Environmental Sciences & Ecology↗
NASA NTRS1995

Thermal barrier coating life modeling in aircraft gas turbine engines

Analytical models useful for predicting ceramic thermal barrier coating (TBC) spalling life in aircraft gas turbine engines are presented. Electron beam-physical vapor deposited (EB-PVD) and plasma sprayed TBC systems are discussed. TBC spalling was attributed to a combination of mechanisms such as metal oxidation at the ceramic-metal interface, ceramic-metal interface stress concentrations at free surfaces due to dissimilar materials, ceramic-metal interface stresses caused by local radius of curvature and interface roughness, material properties and mechanical behavior, transient temperature gradients across the ceramic layer and component design features. TBC spalling life analytical models were developed based on observations of TBC failure modes and plausible failure theories. TBC failure was assumed to occur when the imposed stresses exceeded the material strength (at or near the ceramic-metal interface). TBC failure knowledge gaps caused by lack of experimental evidence and analytical understanding are noted. The analytical models are considered initial engineering approaches that capture observed TBC failure trends.

Nissley, D. M.↗
DOE OSTI2017

Model-based optimizations of packaged rooftop air conditioners using low global warming potential refrigerants

Based on laboratory investigations for R-22 and R-410A alternative low GWP refrigerants in two baseline rooftop air conditioners (RTU), the DOE/ORNL Heat Pump Design Model was used to model the two RTUs and the models were calibrated against the experimental data. We compared the compressor efficiencies and heat exchanger performances. An efficiency-based compressor mapping method was developed. Extensive model-based optimizations were conducted to provide a fair comparison between all the low GWP candidates by selecting optimal configurations. The results illustrate that all the R-22 low GWP refrigerants will lead to slightly lower COPs. ARM-20B appears to be the best R-22 replacement at normal conditions. At higher ambient temperatures, ARM-20A exhibits better performance. All R-410A low GWP candidates will result in similar or better efficiencies than R-410A. R-32 has the best COP while requiring the smallest compressor. Finally, R-452B uses the closest compressor displacement volume and achieves the same efficiency as R-410A.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS2011

In Situ Trace Element Measurements on Roda and the Origin of Diogenites

The origin of diogenites remains poorly understood. A recent model interprets many diogenites to have been formed from melts that were derived by remelting initial magma ocean cumulates, and these penultimate parent melts were then contaminated by melts derived from remelting of the basaltic (eucritic) crust to form the ultimate diogenite parent melts [1] (hereafter the remelting model). This is a very complicated petrogenesis that has profound implications for the geological evolution of 4 Vesta if correct. This model was developed based on trace element analyses of bulk rock samples that had been leached in acids to remove phosphates; the compositions of the residues were interpreted to be close to those of cumulus orthopyroxenes plagioclase, chromite and olivine [1]. In situ measurements of phases in diogenites can be used to test this model. We have begun a campaign of laser ablation ICP-MS of orthopyroxene grains in diogenites for this purpose. Here we report our first results on one diogenite, Roda. We have determined a suite of trace lithophile elements on nine, mm-sized pyroxene grains separated from Roda that have previously been studied [2, 3]. A key observation supporting the remelting model is the very low Eu/Eu* of leached residues; values too low to represent orthopyroxene that crystallized from melts with chondritic Sm/Eu and Gd/Eu [1]. (Eu* = Eu interpolated from REE diagrams.) Crustal remelts have low Sm/Eu and Gd/Eu, and orthopyroxenes that crystallized from parent melts contaminated by them would have very low Eu/Eu* [1]. Roda grains have Eu/Eu* of 0.243 to 0.026; the latter a value lower than any measured on bulk diogenite leached residues (0.041) [1]. There is a general negative correlation between Eu/Eu* and some incompatible elements (Zr, Nb, Hf), but not others (LREE). This appears inconsistent with the remelting model as it would suggest an evolving parent melt with La de-creasing as Zr increased and Eu/Eu* decreased. Grain R-15 includes trace-element-rich trapped melt phases [2, 3]. This grain has the highest Eu/Eu* and LREE contents, indicating that the trapped melt had a high Eu/Eu*. Thus, our first data on one diogenite do not provide support for the remelting model [1]. Roda is unusual in that its orthopyroxene grains show wide ranges in trace element contents [4]. Previous in situ REE analyses of grain R-15 did not reveal evidence for subsolidus equilibration with trace-element-rich trapped melt phases, and led to the suggestion that Roda may be polymict, with different grains representing different lithologies of diverse compositions [3]. Thus, based on our results on Roda, it is perhaps premature to abandon the remelting model. In situ measurements on a suite of diogenites is planned to further address this issue.

Mittlefehldt, David W.↗
DOE OSTI2011

Development, Verification, and Validation of Multiphase Models for Polydisperse Flows

This report describes in detail the technical findings of the DOE Award entitled 'Development, Verification, and Validation of Multiphase Models for Polydisperse Flows.' The focus was on high-velocity, gas-solid flows with a range of particle sizes. A complete mathematical model was developed based on first principles and incorporated into MFIX. The solid-phase description took two forms: the Kinetic Theory of Granular Flows (KTGF) and Discrete Quadrature Method of Moments (DQMOM). The gas-solid drag law for polydisperse flows was developed over a range of flow conditions using Discrete Numerical Simulations (DNS). These models were verified via examination of a range of limiting cases and comparison with Discrete Element Method (DEM) data. Validation took the form of comparison with both DEM and experimental data. Experiments were conducted in three separate circulating fluidized beds (CFB's), with emphasis on the riser section. Measurements included bulk quantities like pressure drop and elutriation, as well as axial and radial measurements of bubble characteristics, cluster characteristics, solids flux, and differential pressure drops (axial only). Monodisperse systems were compared to their binary and continuous particle size distribution (PSD) counterparts. The continuous distributions examined included Gaussian, lognormal, and NETL-provided data for a coal gasifier.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2015

Reliability of emerging bonded interface materials for large-area attachments

In this study, conventional thermal interface materials (TIMs), such as greases, gels, and phase change materials, pose bottlenecks to heat removal and have long caused reliability issues in automotive power electronics packages. Bonded interface materials (BIMs) with superior thermal performance have the potential to be a replacement to the conventional TIMs. However, due to coefficient of thermal expansion mismatches between different components in a package and resultant thermomechanical stresses, fractures or delamination could occur, causing serious reliability concerns. These defects manifest themselves in increased thermal resistance in the package. In this paper, the results of reliability evaluation of emerging BIMs for large-area attachments in power electronics packaging are reported. Thermoplastic (polyamide) adhesive with embedded near-vertical-aligned carbon fibers, sintered silver, and conventional lead solder (Sn 63 Pb 37 ) materials were bonded between 50.8 mm x 50.8 mm cross-sectional footprint silicon nitride substrates and copper base plate samples, and were subjected to accelerated thermal cycling until failure or 2500 cycles. Damage in the BIMs was monitored every 100 cycles by scanning acoustic microscopy. Thermoplastic with embedded carbon fibers performed the best with no defects, whereas sintered silver and lead solder failed at 2300 and 1400 thermal cycles, respectively. Besides thermal cycling, additional lead solder samples were subjected to thermal shock and thermal cycling with extended dwell periods. A finite element method (FEM)-based model was developed to simulate the behavior of lead solder under thermomechanical loading. Strain energy density per cycle results were calculated from the FEM simulations. A predictive lifetime model was formulated for lead solder by correlating strain energy density results extracted from modeling with cycles-to-failure obtained from experimental accelerated tests. A power-law-based approach was used to formulate the - redictive lifetime model.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2015

Integrated Computational Materials Engineering (ICME) for Third Generation Advanced High-Strength Steel Development

This paper presents an overview of a four-year project focused on development of an integrated computational materials engineering (ICME) toolset for third generation advanced high-strength steels (3GAHSS). Following a brief look at ICME as an emerging discipline within the Materials Genome Initiative, technical tasks in the ICME project will be discussed. Specific aims of the individual tasks are multi-scale, microstructure-based material model development using state-of-the-art computational and experimental techniques, forming, toolset assembly, design optimization, integration and technical cost modeling. The integrated approach is initially illustrated using a 980 grade transformation induced plasticity (TRIP) steel, subject to a two-step quenching and partitioning (Q&P) heat treatment, as an example.

Savic, Vesna↗
NASA NTRS1985

Directional Solidification of Monotectic and Hypermonotectic Aluminum-indium Alloys Under Micron-g

The objective of this program is to analyze the mechanisms involved in the composite solid structure formation obtained from a miscibility gap alloy under microgravity. The metallic system aluminum-indium was chosen for its low critical temperature, broad miscibility gap, and rather well-known thermodynamic properties. The experiment was performed aboard the Salyut-7 spacecraft. The theories of capture of particulates by an advancing front were not able to explain the observations made on SPAR and Salyut-7 experiments. A new model was developed based on the filtration theory considering the globules population: the solid/liquid interface is like a filter of negligible thickness for the globules and its efficiency is limited by a pressure barrier measured for Al-In alloys by ground based experiments. The Materials Experiment Assembly (MEA)-3 experiment was consequently adjusted to take into account the new model. The behavior of the globules in an interacting population on the solid front is, of course, an essential factor in the theory. The theory is at present being completed by results obtained by the Laboratoire d'Aerothermique of Meudon. The hydrodynamic and thermal interactions between pairs of globules placed in a temperature gradient have been calculated showing a large reduction of the Marangoni effect compared to the isolated globule. Physico-chemical properties of metallic liquid interface are currently being investigated.

Potard, C.↗
NASA NTRS2001

Thermal Fault Tolerance Analysis of Carbon Fiber Rope Barrier Systems for Use in the Reusable Solid Rocket Motor ( RSRM) Nozzle Joints

Carbon Fiber Rope (CFR) thermal barrier systems are being considered for use in several RSRM (Reusable Solid Rocket Motor) nozzle joints as a replacement for the current assembly gap close-out process/design. This study provides for development and test verification of analysis methods used for flow-thermal modeling of a CFR thermal barrier subject to fault conditions such as rope combustion gas blow-by and CFR splice failure. Global model development is based on a 1-D (one dimensional) transient volume filling approach where the flow conditions are calculated as a function of internal 'pipe' and porous media 'Darcy' flow correlations. Combustion gas flow rates are calculated for the CFR on a per-linear inch basis and solved simultaneously with a detailed thermal-gas dynamic model of a local region of gas blow by (or splice fault). Effects of gas compressibility, friction and heat transfer are accounted for the model. Computational Fluid Dynamic (CFD) solutions of the fault regions are used to characterize the local flow field, quantify the amount of free jet spreading and assist in the determination of impingement film coefficients on the nozzle housings. Gas to wall heat transfer is simulated by a large thermal finite element grid of the local structure. The employed numerical technique loosely couples the FE (Finite Element) solution with the gas dynamics solution of the faulted region. All free constants that appear in the governing equations are calibrated by hot fire sub-scale test. The calibrated model is used to make flight predictions using motor aft end environments and timelines. Model results indicate that CFR barrier systems provide a near 'vented joint' style of pressurization. Hypothetical fault conditions considered in this study (blow by, splice defect) are relatively benign in terms of overall heating to nozzle metal housing structures.

Clayton, J. Louie↗
DOE OSTI2022

Dynamic Differential Image Circle Diameter Measurement Precision Assessment: Application to Burning Droplets

Dynamic measurement precision assessment has been achieved for a differential circle measurement application. Differential circle diameter measurement, in image analysis, typically requires fitting a circle model that optimizes for image distortions, defects or occlusions. The differential task occurs when precise measurements of diameter change are required given object size variation with time. An automated system was designed to provide diameter measurements and associated measurement precision of images of a fuel droplet undergoing combustion in zero gravity for the FLEX-2 dataset. An image gradient-based, least-squares boundary point fitting method to a circle or ellipse model is used for diameter measurement. The presence of soot aggregates poses significant challenges for diameter measurements when it occludes part of the droplet boundary. The precision of the diameter measurements depends upon the image quality. Using synthetic image simulations that model the soot behavior, we developed a model based on image quality measures that assesses the measurement precision for each individual diameter measurement. Thus, diameter measurements with precision assessments were made available for follow-up scientific analysis. As a result, the algorithm's success rate for measurable runs was 98%. In cases of limited occlusion, a measurement precision of ±0.2 pixels for the FLEX-2 dataset was achieved.

42 ENGINEERING↗
DOE OSTI2017

Low–Cost Bio-Based Carbon Fiber for High-Temperature Processing

GrafTech International Holdings Inc. (GTI), worked with Oak Ridge National Laboratory (ORNL) under CRADA No. NFE-15-05807 to develop lignin-based carbon fiber (LBCF) technology and to demonstrate LBCF performance in high-temperature products and applications. This work was unique and different from other reported LBCF work in that this study was application-focused and scalability-focused. Accordingly, the executed work was based on meeting criteria based on technology development, cost, and application suitability. The focus of this work was to demonstrate lab-scale LBCF from at least 4 different precursor feedstock sources that could meet the estimated production cost of $5.00/pound and have ash level of less than 500 ppm in the carbonized insulation-grade fiber. Accordingly, a preliminary cost model was developed based on publicly available information. The team demonstrated that 4 lignin samples met the cost criteria, as highlighted in Table 1. In addition, the ash level for the 4 carbonized lignin samples were below 500 ppm. Processing asreceived lignin to produce a high purity lignin fiber was a significant accomplishment in that most industrial lignin, prior to purification, had greater than 4X the ash level needed for this project, and prior to this work there was not a clear path of how to achieve the purity target. The lab scale development of LBCF was performed with a specific functional application in mind, specifically for high temperature rigid insulation. GTI is currently a consumer of foreignsourced pitch and rayon based carbon fibers for use in its high temperature insulation products, and the motivation was that LBCF had potential to decrease costs and increase product competitiveness in the marketplace through lowered raw material costs, lowered energy costs, and decreased environmental footprint. At the end of this project, the Technology Readiness Level (TRL) remained at 5 for LBCF in high temperature insulation.

36 MATERIALS SCIENCE↗