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At least 433 records · Page 24

Mechanistic within-host mathematical model of inhalational anthrax

We present a mathematical model of the dynamics of Bacillus anthracis bacteria within the lymph nodes and blood of a host, following inhalation of an initial dose of spores. We also incorporate the dynamics of protective antigen, which is the binding component of the anthrax toxin produced by the bacteria. The model offers a mechanistic description of the early infection dynamics of inhalational anthrax, while its stochastic nature allows us to study the probabilities of different outcomes (for example, how likely it is that the infection will be cleared for a given inhaled dose of spores) in order to explain dose-response data for inhalational anthrax. The model is calibrated via a Bayesian approach, using in vivo data from New Zealand white rabbit and guinea pig infection studies, enabling within-host parameters to be estimated. We also leverage incubation-period data from the Sverdlovsk 1979 anthrax outbreak to show that the model can accurately describe human time-to-symptoms data under reasonable parameter regimes. Finally, we derive a simple approximate formula for the probability of symptom onset before time t, assuming that the number of inhaled spores has a Poisson distribution.

59 BASIC BIOLOGICAL SCIENCES↗

Impact of Water Use by Utility-Scale Solar on Groundwater Resources of the Chuckwalla Basin, CA: Final Modeling Report

The DOE and BLM identified 285,000 acres of desert land in the Chuckwalla valley in the western U.S., for solar energy development. In addition to several approved solar projects, a pumped storage project was recently proposed to pump nearly 8000 acre-ft-yr of groundwater to store and stabilize solar energy output. This study aims at providing estimates of the amount of naturally-occurring recharge, and to estimate the impact of the pumping on the water table. To better provide the locations and intensity of natural recharge, this study employs an integrated, physically-based hydrologic model, PAWS+CLM, to calculate recharge. Then, the simulated recharge is used in a parameter estimation package to calibrate spatially-distributed K field. This design is to incorporate all available observational data, including soil moisture monitoring stations, groundwater head, and estimates of groundwater conductivity, to constrain the modeling. To address the uncertainty of the soil parameters, an ensemble of simulations are conducted, and the resulting recharges are either rejected or accepted based on calibrated groundwater head and local variation of the K field. The results indicate that the natural total inflow to the study domain is between 7107 and 12,772 afy. During the initial-fill phase of pumped storage project, the total outflow exceeds the upper bound estimate of the inflow. If the initial-fill is annualized to 20 years, the average pumping is more than the lower bound of inflows. The results indicate after adding the pumped storage project, the system will nearing, if not exceeding, its maximum renewable pumping capacity. The accepted recharges lead to a drawdown range of 24 to 45 ft for an assumed specific yield of 0.05. However, the drawdown is sensitive to this parameter, whereas there is insufficient data to adequately constrain this parameter.

14 SOLAR ENERGY↗

Machine-Learning-Assisted Hybrid Earth System Modelling

We propose a novel hybrid modeling approach that combines a physics-based, numerical model of the Earth system with a machine learning model. We also envision to integrate the hybrid model training with a data assimilation cycle, so that new observations update both the state estimate used as initial conditions and the machine learning model parameters.

58 GEOSCIENCES↗

Xanthos – A Global Hydrologic Model

Xanthos is an open-source hydrologic model, written in Python, designed to quantify and analyse global water availability. Xanthos simulates historical and future global water availability on a monthly time step at a spatial resolution of 0.5 geographic degrees. Xanthos was designed to be extensible and used by scientists that study global water supply and work with the Global Change Assessment Model (GCAM). Xanthos uses a user-defined configuration file to specify model inputs, outputs and parameters. Xanthos has been tested using actual global data sets and the model is able to provide historical observations and future estimates of renewable freshwater resources in the form of total runoff.

58 GEOSCIENCES↗

Decoding Golden Eagle Movement Behavior from High-Resolution, Variable-Rate Telemetry Data Through Bayesian Filtering

The recent advances in animal tracking technology have enabled the collection of a vast amount of in situ data regarding the movement of wildlife at high spatiotemporal resolution. These data are usually available at variable time resolutions and contains noise (error) originating from GPS fixes. Decoding movement characteristics, particularly of flying animals, from telemetry data while handling these factors is a challenging yet important task for conservation purposes. Typically, this task is broken into two subtasks: resampling, and model calibration. The resampling subtask converts the variable rate positional data into a constant time interval data, while the model calibration subtask uses the resampled data to tune time-invariant parameters of the proposed models. For telemetry data at high temporal resolutions (order of 1 second), it is very challenging to decouple noise from actual movements using interpolation-based resampling techniques. Any errors introduced during resampling can significantly alter the the calibration and prediction attributes of the movement model. We address this problem through a unified Bayesian state-space framework that can handle both the resampling and calibration tasks in a single step. In addition, we use the speed and heading of the bird from telemetry data to regularize the position information of the bird. We use a Kalman filtering approach to include these nonlinearly related motion parameters within the state space framework. We cross-validated to quantify how this inclusion affects the model performance in estimating true bird movements. The relationship between the true state of the bird and environmental and topographical covariates is then represented parametrically. These parameters are then tuned using stochastic sampling strategies like Markov Chain Monte Carlo (MCMC). We use the telemetry data collected from golden eagles in the western USA to demonstrate the applicability of this approach to build a predictive, probabilistic movement model. Our preliminary results show that this approach provides improved predictive performance in terms of capturing higher-order motion parameters such as angular and horizontal accelerations, which may have simpler and more direct relationships with environmental covariates than corresponding speeds. In this talk, we will demonstrate how this state-space approach benefits the prediction capabilities of a movement model in simulating golden eagle paths through a wind power plant in Wyoming given certain atmospheric conditions. The model outcomes are aimed at informing mitigation strategies that can minimize the potential for collisions of golden eagles with wind turbines.

Bayesian methods↗

Estimating canopy fuel characteristics for predicting crown fire potential in common forest types of the Atlantic Coastal Plain, USA

We computed four stand-level canopy stratum variables important for crown fire modelling – canopy cover, stand height, canopy base height and canopy bulk density – from forest inventory data. We modelled the relationship between the canopy variables and a set of common inventory parameters – site index, stem density, basal area, stand age or stand height – and number of prescribed burns. We used a logistic model to estimate canopy cover, a linear model to estimate the other canopy variables, and the information theoretic approach for model selection. Coefficients of determination across five forest groups were 0.72–0.91 for stand height, 0.36–0.83 for canopy base height, 0.39–0.80 for canopy cover, and 0.63–0.78 for canopy bulk density. We assessed crown fire potential (1) for several sets of environmental conditions in all seasons, and (2) with increasing age, density and number of prescribed burns using our modelled canopy bulk density and canopy base height variables and local weather data to populate the Crown Fire Initiation and Spread model. Results indicated that passive crown fire is possible in any season in Atlantic coastal plain pine stands with heavy surface fuel loads and active crown fire is most probable in infrequently burned, dense stands at low fuel moistures.

Forestry↗

From Escherichia coli mutant 13 C labeling data to a core kinetic model: A kinetic model parameterization pipeline

Kinetic models of metabolic networks offer the promise of quantitative phenotype prediction. The mechanistic characterization of enzyme catalyzed reactions allows for tracing the effect of perturbations in metabolite concentrations and reaction fluxes in response to genetic and environmental perturbation that are beyond the scope of stoichiometric models. In this study, we develop a two-step computational pipeline for the rapid parameterization of kinetic models of metabolic networks using a curated metabolic model and available 13 C-labeling distributions under multiple genetic and environmental perturbations. The first step involves the elucidation of all intracellular fluxes in a core model of E. coli containing 74 reactions and 61 metabolites using 13 C-Metabolic Flux Analysis ( 13 C-MFA). Here, fluxes corresponding to the mid-exponential growth phase are elucidated for seven single gene deletion mutants from upper glycolysis, pentose phosphate pathway and the Entner-Doudoroff pathway. The computed flux ranges are then used to parameterize the same (i.e., k-ecoli74) core kinetic model for E. coli with 55 substrate-level regulations using the newly developed K-FIT parameterization algorithm. The K-FIT algorithm employs a combination of equation decomposition and iterative solution techniques to evaluate steady-state fluxes in response to genetic perturbations. k-ecoli74 predicted 86% of flux values for strains used during fitting within a single standard deviation of 13 C-MFA estimated values. By performing both tasks using the same network, errors associated with lack of congruity between the two networks are avoided, allowing for seamless integration of data with model building. Product yield predictions and comparison with previously developed kinetic models indicate shifts in flux ranges and the presence or absence of mutant strains delivering flux towards pathways of interest from training data significantly impact predictive capabilities. Using this workflow, the impact of completeness of fluxomic datasets and the importance of specific genetic perturbations on uncertainties in kinetic parameter estimation are evaluated.

59 BASIC BIOLOGICAL SCIENCES↗

Using Willingness to Pay to Forecast the Adoption of Solar Photovoltaics: A ''Parameterization + Calibration'' Approach

Distributed energy resources, such as rooftop solar photovoltaics (PV), are likely to comprise a substantial fraction of new generation capacity in the United States. However, forecasting technology adoption based on people's willingness to pay (WTP) faces two major challenges: the stated-intention and omitted-variable biases. Previous solar adoption literature has neglected to address these two biases altogether. Here, we adopt a 'parameterization + calibration' approach to address both biases and estimate customers' WTP for PV. After collecting survey data on respondents' WTP for adopting PV, we characterize its empirical cumulative density function using a gamma distribution. We further calibrate the gamma distribution parameters using a national distributed PV adoption simulation model, finding the parameters that produce the best fit between simulated and historic solar adoption. We then show that the calibrated gamma distribution improves the raw WTP data after correcting for the two biases. Finally, we use our optimally-calibrated WTP to forecast market demand for residential PV at the county-level of the United States in 2020. Improving estimates of customer willingness to pay has significant implications for policy directly, e.g. estimating the effect of a proposed policy on technology adoption, and other regulatory processes that use forecasting, e.g. integrated resource planning.

14 SOLAR ENERGY↗

Advanced, Energy-Efficient Hybrid Membrane System for Industrial Water Reuse

In the U.S. manufacturing sector, current industrial water use practices are energy-intensive and utilize and discharge high volumes of waters, rendering them not sustainable especially in light of the growing scarcity of suitable water supplies. To help address this problem, the goal of this project was to develop an advanced, cost-effective, hybrid membrane-based water treatment system that can improve the energy efficiency of industrial wastewater treatment while allowing at least 50% water reuse efficiency. This hybrid process would combine emerging Forward Osmosis (FO) and Membrane Distillation (MD) technology components into an integrated FO-MD system that can beneficially utilize low-grade waste heat (i.e., T < 450 °F) in industrial facilities to produce distilled-quality product water for reuse. In this project, laboratory-, bench-, and pilot-scale experiments on the hybrid FO-MD system were conducted for industrial wastewater treatment. It was demonstrated at laboratory, bench, and pilot scales that FO-MD membrane technology can concentrate brine to very high total dissolved solids (TDS) levels (>200,000 ppm) that are at least 2.5 times higher than the TDS level to which RO can achieve. In laboratory testing, currently available FO and MD membranes were tested to select for high-performing membranes with high salt rejection and high water flux. Multiple FO membrane/draw-salt solution combinations that gave high water flux with higher than 98% salt rejection were also identified. Reverse draw-salt fluxes were observed to be much lower for divalent salts than for monovalent salts. MD membranes were identified that had 99.9+% salt rejection and water flux as high as 50-90 L/(m 2 ·h) for flat-sheet membranes and >20 L/(m 2 ·h) for hollow fibers. In bench-scale testing, a single unit of commercially available FO and MD membrane modules were evaluated for continuous, integrated operation. Using the laboratory- and bench-scale test data, numerical modeling was performed on the FO and MD processes to estimate engineering parameters for a larger-scale pilot unit. Based on the experimental studies and modeling results, a pilot-scale, integrated FO-MD prototype unit was designed and built for trailer-mounted operation. This prototype system was fed real industrial wastewater, which could not be further treated by conventional technologies, from an oil production facility and was successfully operated for over 15 weeks without major stoppage. About 90% water recovery was possible, while concentrating the TDS from 12,000 ppm up to 190,500 ppm. The FO-MD prototype rejected most wastewater contaminants while producing water with <300 ppm TDS, even when the feed TDS was higher than 150,000 ppm. No chemical cleaning was necessary during the pilot testing period. Flushing the system with dechlorinated tap water was sufficient to reset the membranes for the next set of test conditions. Pilot performance and membrane autopsy showed that, even though the feed was concentrated more than 10 times, membrane fouling was unnoticeable and no defects were detected on the FO and MD membrane surfaces. This project demonstrated the technical feasibility of the hybrid FO-MD process by taking water already treated to the limit with the highest level of current technologies and further concentrating it 10-fold by using mostly low-cost materials. Because no membranes suitable for full-scale plant applications are available at present, economical feasibility of the hybrid technology is still uncertain, but it is expected that broader industry participation can further reduce FO-MD process costs.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Efficient method for estimating the time evolution of the proto-neutron star mass and radius from a supernova neutrino signal

In this paper, we present a novel method to estimate the time evolution of the proto-neutron star (PNS) structure from the neutrino signal in a core-collapse supernova (CCSN). Employing recent results from multidimensional CCSN simulations, we delve into a relation between the total emitted neutrino energy (TONE) and PNS mass/radius, and we find that they are strongly correlated with each other. We fit the relation by simple polynomial functions connecting the TONE to the mass and radius of the PNS as a function of time. By combining another fitting function representing the correlation between the TONE and the cumulative number of events at each neutrino observatory, the PNS mass and radius can be retrieved from purely observed neutrino data. We demonstrate retrievals of PNS mass and radius from mock data of the neutrino signal, and we assess the capability of our proposed method. While underlining the limitations of the method, we also discuss the importance of the joint analysis with the gravitational wave signal. This would reduce uncertainties of parameter estimations in our method, and may narrow down the possible neutrino oscillation model. The proposed method is a very easy and inexpensive computation, which will be useful in real data analysis of the CCSN neutrino signal.

79 ASTRONOMY AND ASTROPHYSICS↗

LAMOST Time-Domain survey: first results of four K2 plates

From Oct. 2019 to Apr. 2020, LAMOST performed a time-domain (TD) spectroscopic survey of four K2 plates with both low- and medium-resolution observations. The low-resolution spectroscopic survey acquired 282 exposures ( ≈ 46.6 h) over 25 nights, yielding a total of about 767 000 spectra, and the medium-resolution survey took 177 exposures ( ≈ 49.1 h) over 27 nights, collecting about 478 000 spectra. More than 70%/50% of low-resolution/medium-resolution spectra have signal-to-noise ratio higher than 10. We determine stellar parameters (e.g., T eff , log g, [Fe/H]) and radial velocity (RV) with different methods, including LASP, DD-Payne and SLAM. In general, these parameter estimations from different methods show good agreement, and the stellar parameter values are consistent with those of APOGEE. We use the Gaia DR2 RV values to calculate a median RV zero point (RVZP) for each spectrograph exposure by exposure, and the RVZP-corrected RVs agree well with the APOGEE data. The stellar evolutionary and spectroscopic masses are estimated based on the stellar parameters, multi-band magnitudes, distances and extinction values. Finally, we construct a binary catalog including about 2700 candidates by analyzing their light curves, fitting the RV data, calculating the binarity parameters from medium-resolution spectra and cross-matching the spatially resolved binary catalog from Gaia EDR3. In conclusion, the LAMOST TD survey is expected to represent a breakthrough in various scientific topics, such as binary systems, stellar activity, stellar pulsation, etc.

79 ASTRONOMY AND ASTROPHYSICS↗

Estimating a Service-Life Distribution Based on Production Counts and a Failure Database

A manufacturer wanted to compare the service-life distributions of two similar products. These concern product lifetimes after installation (not manufacture). For each product, there were available production counts and an imperfect database providing information on failing units. In the real case, these units were expensive repairable units warrantied against repairs. Failure (of interest here) was relatively rare and driven by a different mode/mechanism than ordinary repair events (not of interest here). Approach: Data models for the service life based on a standard parametric lifetime distribution and a related limited failure population were developed. These models were used to develop expressions for the likelihood of the available data that properly accounts for information missing in the failure database. Results: A Bayesian approach was employed to obtain estimates of model parameters (with associated uncertainty) in order to investigate characteristics of the service-life distribution. Custom software was developed and is included as Supplemental Material to this case study. One part of a responsible approach to the original case was a simulation experiment used to validate the correctness of the software and the behavior of the statistical methodology before using its results in the application, and an example of such an experiment is included here. Because of confidentiality issues that prevent use of the original data, simulated data with characteristics like the manufacturer’s proprietary data are used to illustrate some aspects of our real analyses. Lastly, we also note that, although this case focuses on rare and complete product failure, the statistical methodology provided is directly applicable to more standard warranty data problems involving typically much larger warranty databases where entries are warranty claims (often for repairs) rather than reports of complete failures.

97 MATHEMATICS AND COMPUTING↗

Multi-area parameter error identification for large power systems

Power grid model parameters may contain errors due to various reasons. Detecting and correcting parameter errors typically requires significant computational effort due to the size and complexity of the parameter database. While the normalized Lagrange multiplier (NLM) method can effectively detect, identify and correct parameter errors, its computational burden could rapidly grow with increasing system size. This paper addresses this issue by proposing a multi-area parameter error identification method. Each area has its own outlier detection tool for detecting the incorrect parameters and measurements within the area. On the other hand, due to the reduced redundancy at area boundaries, parameter errors on branches incident to boundary buses may not be detected. Such errors are subsequently detected by a coordination level estimator completing the system-wide parameter detection procedure. In conclusion, performance of the developed method is demonstrated using the IEEE 118-bus and 2000-bus Texas synthetic systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗

A Robust State Estimation Framework Considering Measurement Correlations and Imperfect Synchronization

This paper develops a robust power system state estimation framework with the consideration of measurement correlations and imperfect synchronization. In the framework, correlations of SCADA and PMU measurements are calculated separately through unscented transformation and a vector autoregression (VAR) model. In particular, PMU measurements during the waiting period of two SCADA measurement scans are buffered to develop the VAR model. The latter takes into account the temporal and spatial correlations of PMU measurements and provides redundant measurements to suppress bad data and mitigate imperfect synchronization. In case of synchronization issues between SCADA and PMU measurements, either forecasted PMU measurements or prior SCADA measurements from the last estimation run are leveraged to restore system observability. After that, robust generalized maximum-likelihood (GM)-estimator is developed to integrate full measurement correlations and handle bad data in SCADA and PMU measurements. Thanks to the robustness and flexibility of the proposed robust estimator, bad data as well as imperfect measurement synchronization are mitigated, yielding high statistical efficiency. Comprehensive comparison results with other alternatives under various conditions demonstrate the benefits of the proposed framework.

Zhao, Junbo (ORCID:0000000284989666)↗

Scaled Vecchia Approximation for Fast Computer-Model Emulation

Many scientific phenomena are studied using computer experiments consisting of multiple runs of a computer model while varying the input settings. Gaussian processes (GPs) are a popular tool for the analysis of computer experiments, enabling interpolation between input settings, but direct GP inference is computationally infeasible for large datasets. We adapt and extend a powerful class of GP methods from spatial statistics to enable the scalable analysis and emulation of large computer experiments. Specifically, we apply Vecchia’s ordered conditional approximation in a transformed input space, with each input scaled according to how strongly it relates to the computer-model response. The scaling is learned from the data by estimating parameters in the GP covariance function using Fisher scoring. Our methods are highly scalable, enabling estimation, joint prediction, and simulation in near-linear time in the number of model runs. In several numerical examples, our approach substantially outperformed existing methods.

97 MATHEMATICS AND COMPUTING↗

PBPK modeling of the cis- and trans-permethrin isomers and their major urinary metabolites in rats

Permethrin, a pyrethroid insecticide, is suspected to induce neuronal and hormonal disturbances in humans. The widespread exposure of the populations has been confirmed by the detection of the urinary metabolites of permethrin in biomonitoring studies. Permethrin is a chiral molecule presenting two forms, the cis and the trans isomers. Because in vitro studies indicated a metabolic interaction between the trans and cis isomers of permethrin, we adapted and calibrated a PBPK model for trans- and cis-permethrin separately in rats. The model also describes the toxicokinetics of three urinary metabolites, cis- and trans-3-(2,2 dichlorovinyl)-2,2-dimethyl-(1-cyclopropane) carboxylic acid (cis- and trans-DCCA), 3-phenoxybenzoic acid (3-PBA) and 4′OH-phenoxybenzoic acid (4′-OH-PBA). In vivo experiments performed in Sprague–Dawley rats were used to calibrate the PBPK model in a Bayesian framework. The model captured well the toxicokinetics of permethrin isomers and their metabolites including the rapid absorption, the accumulation in fat, the extensive metabolism of the parent compounds, and the rapid elimination of metabolites in urine. Average hepatic clearances in rats were estimated to be 2.4 and 5.7 L/h/kg for cis- and trans-permethrin, respectively. High concentrations of the metabolite 4′-OH-PBA were measured in urine compared to cis- and trans-DCCA and 3-PBA. The confidence in the extended PBPK model was then confirmed by good predictions of published experimental data obtained using the isomers mixture. The extended PBPK model could be extrapolated to humans to predict the internal dose of exposure to permethrin from biomonitoring data in urine. - Highlights: • A PBPK model of isomers of permethrin and its urinary metabolites was developed. • A quantitative link was established for permethrin and its biomarkers of exposure. • The bayesian framework allows getting confidence interval on the estimated parameters. • The PBPK model can be extrapolated to human and used in a reverse dosimetry context.

60 APPLIED LIFE SCIENCES↗

Quantifying Model Form Uncertainty of Epidemic Forecasting Models from Incidence Data

Objective We present a mathematical framework for non-parametric estimation of the force of infection, together with statistical upper and lower confidence bands. The resulting estimates allow to assess how well simpler models, such as SEIR, fit the observed time series of incidence data.IntroductionUncertainty Quantification (UQ), the ability to quantify the impact of sample-to-sample variations and model misspecification on predictions and forecasts, is a critical aspect of disease surveillance. While quantifying the impact of stochastic uncertainty in the data is well understood, quantifying the impact of model misspecification is significantly harder. For the latter, one needs a "universal model" to which more restrictive parametric models are compared too.MethodsThis talk presents a useful modeling framework for time series of incidence data from contagious diseases that enables one to identify and quantify the impact of model form uncertainty. Specifically, we propose to focus on estimating the timedependent force of infection. The latter is a universal parameters for all contagious disease model. Using a machine learning technique for estimating monotone functions, i.e., isotonic regression and its variants, one can estimate the force ofinfection without addtional assumptions. We note that most contagious disease model do satisfy this monotonicity assumption, due to a combination of factors: depletion of susceptibles, implementation of mitigation strategies, behavior change, etc. Comparing the resulting "non-parametric" estimate with parametric estimates, obtained by fitting an SEIR for example, can reveal model deficiencies and help quantify model form uncertainties.Finally, we discuss how ideas from "strict bound theory" can be used to develop upper and lower uncertainty bands for force of infection that acknowledge the intrinsic stochasticity in the data.ResultsWe demonstrate the application of the methodology to weekly Influenza Like Illness (ILI) incidence data from France andcompare the results to fitted SIR and SEIR models. This comparison can be seen as a nonparametric goodness of fit test, providing one with tools to do simple model selection.ConclusionsWe present a novel and flexible model to statistically describe the force of infection as a function of time. Comparing the fit to incidence data of that model with the fit of simpler parametric models enables the quantification of model form uncertainty and associated model selection.

Hengartner, Nicholas↗

Fatigue behavior and modeling for additive manufactured 304L stainless steel: The effect of surface roughness

The fatigue strength of additively manufactured metallic parts in their as-built surface condition is mainly dominated by the surface roughness. Post-processing is often inevitable to reduce surface roughness effects even though post-processing diminishes the main advantage of additive manufacturing, which is net-shaped direct-to-service production. This work investigates the underlying mechanisms responsible for fatigue failure of additively manufactured 304L stainless steel parts in as-built and machined/polished surface conditions. Both strain- and force-controlled, fully reversed fatigue tests were conducted to gain a comprehensive understanding of surface roughness effects on fatigue behavior. The sensitivity to surface roughness is shown to be dependent on the control mode, with stress-based fatigue tests showing greater sensitivity than strain-based fatigue tests. Moreover, the fatigue life estimation for as-built specimens was performed based on surface roughness parameters as well as the fatigue properties of the specimens in machined/polished surface condition of the material without using any fatigue data of specimens in as-built surface condition. Accordingly, the effect of surface roughness on the fatigue behavior could be estimated reasonably well in both strain-life and stress-life approaches.

36 MATERIALS SCIENCE↗