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Socially optimal replacement of conventional with electric vehicles for the US household fleet

In this study, a framework is proposed for minimizing the societal cost of replacing gas-powered household passenger cars with battery electric ones (BEVs). The societal cost consists of operational costs of heterogeneous driving patterns' cars, the government investments for charging deployment, and monetized environmental externalities. The optimization framework determines the timeframe needed for conventional vehicles to be replaced with BEVs. It also determines the BEVs driving range during the planning timeframe, as well as the density of public chargers deployed on a linear transportation network over time. We leverage datasets that represent U.S. household driving patterns, as well as the automobile and the energy markets, to apply the model. Results indicate that it takes 8 years for 80% of our conventional vehicle sample to be replaced with electric vehicles, under the base case scenario. The socially optimal all-electric driving range is 204 miles, with chargers placed every 172 miles on a linear corridor. All of the public chargers should be deployed at the beginning of the planning horizon to achieve greater savings over the years. Sensitivity analysis reveals that the timeframe for the socially optimal conversion of 80% of the sample varies from 6 to 12 years. The optimal decision variables are sensitive to battery pack and vehicle body cost, gasoline cost, the discount rate, and conventional vehicles' fuel economy. In conclusion, faster conventional vehicle replacement is achieved when the gasoline cost increases, electricity cost decreases, and battery packs become cheaper over the years.

25 ENERGY STORAGE↗

Gradient-based optimization for regression in the functional tensor-train format

Predictive analysis of complex computational models, such as uncertainty quantification (UQ), must often rely on using an existing database of simulation runs. In this paper we consider the task of performing low-multilinear-rank regression on such a database. Specifically we develop and analyze an efficient gradient computation that enables gradient-based optimization procedures, including stochastic gradient descent and quasi-Newton methods, for learning the parameters of a functional tensor-train (FT). We compare our algorithms with 22 other nonparametric and parametric regression methods on 10 real-world data sets and show that for many physical systems, exploiting low-rank structure facilitates efficient construction of surrogate models. Here, we use a number of synthetic functions to build insight into behavior of our algorithms, including the rank adaptation and group-sparsity regularization procedures that we developed to reduce overfitting. Finally we conclude the paper by building a surrogate of a physical model of a propulsion plant on a naval vessel.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

COHERENT NETWORK ANALYSIS FOR CONTINUOUS GRAVITATIONAL WAVE SIGNALS IN A PULSAR TIMING ARRAY: PULSAR PHASES AS EXTRINSIC PARAMETERS

Supermassive black hole binaries are one of the primary targets of gravitational wave (GW) searches using pulsar timing arrays (PTAs). GW signals from such systems are well represented by parameterized models, allowing the standard Generalized Likelihood Ratio Test (GLRT) to be used for their detection and estimation. However, there is a dichotomy in how the GLRT can be implemented for PTAs: there are two possible ways in which one can split the set of signal parameters for semi-analytical and numerical extremization. The straightforward extension of the method used for continuous signals in ground-based GW searches, where the so-called pulsar phase parameters are maximized numerically, was addressed in an earlier paper. In this paper, we report the first study of the performance of the second approach where the pulsar phases are maximized semi-analytically. This approach is scalable since the number of parameters left over for numerical optimization does not depend on the size of the PTA. Our results show that for the same array size (9 pulsars), the new method performs somewhat worse in parameter estimation, but not in detection, than the previous method where the pulsar phases were maximized numerically. The origin of the performance discrepancy is likely to be in the ill-posedness that is intrinsic to any network analysis method. However, the scalability of the new method allows the ill-posedness to be mitigated by simply adding more pulsars to the array. This is shown explicitly by taking a larger array of pulsars.

79 ASTRONOMY AND ASTROPHYSICS↗

Solar light driven photocatalytic degradation of Ofloxacin based on ultra-thin bismuth molybdenum oxide nanosheets

Highlights: • Facile synthesis of ultra-thin Bi{sub 2}MoO{sub 6} nanosheets. • Solar-light driven photocatalytic degradation of antibiotic Ofloxacin. • Almost 70% photocatalytic degradation of Ofloxacin under optimized conditions. - Abstract: Herein, we report the facile synthesis, characterization and solar-light driven photocatalytic degradation of ultra-thin bismuth molybdenum oxide (Bi{sub 2}MoO{sub 6}) nanosheets. The nanosheets were synthesized by hydrothermal process and characterized using several techniques such as powder X-ray diffraction (PXRD), Fourier transform infrared spectroscopy (FTIR), energy-dispersive X-ray spectroscopy (EDS), UV-diffusive reflectance spectroscopy (UV-DRS), transmission emission microscopy (TEM) and X-ray photon electron spectroscopy (XPS). The detailed morphological and structural studies confirmed the growth of ultra-thin Bi{sub 2}MoO{sub 6} nanosheets in large density with orthorhombic crystal structure. The calculated bandgap energy from Tauc’s plot for the synthesized nanosheets was found to be 2.73 eV, which shows maximum absorption toward higher wavelength. The XPS studies confirmed the successful formation Bi{sub 2}MoO{sub 6} nanosheets. The synthesized material was used as efficient solar light driven photocatalyst for the photocatalytic degradation of Ofloxacin. The mineralization of ofloxacin was confirmed using total organic carbon (TOC) analysis and photocatalytic experiments were performed under optimized conditions. It was observed that TOC value decreased with increasing the irradiation time. Under optimized photocatalytic degradation conditions, the observed extent of degradation was found to be ∼ 71%. The observed results confirm that the synthesized Bi{sub 2}MoO{sub 6} nanosheets are efficient and promising visible light responsive catalyst for the degradation of persistent organic pollutants.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Fourier Analysis Method for Wireless Power Transfer Coil Design

Wireless power transfer (WPT) systems for Electric Vehicles (EVs) are designed to meet specifications such as stray field, power transfer, efficiency, and ground clearance. Typical design approaches include iterative analysis of predetermined coil geometries to identify candidates that meet these constraints. This work instead directly generates WPT coil shapes and magnetic fields to meet specifications and constraints through the optimization of Fourier basis function coefficients. The proposed Fourier Analysis Method (FAM) applies to arbitrary planar coil geometries and does not rely on iterative finite-element analysis (FEA) simulations. This flexibility allows for rapid design evaluation across a larger range of coil geometries and design specifications. A prototype coil is built to compare FAM outputs to experimental measurements and FEA simulations. The FAM is then used to illustrate the tradeoff of coil current and stray field for a given power level showing that the method is capable of generating optimized coil shapes to meet arbitrary field constraints.

Foote, Andrew↗

Position-specific carbon isotope analysis of serine by gas chromatography/Orbitrap mass spectrometry, and an application to plant metabolism

Position-specific 13 C/ 12 C ratios within amino acids remain largely unexplored in environmental samples due to methodological limitations. We hypothesized that natural-abundance isotope patterns in serine may serve as a proxy for plant metabolic fluxes including photorespiration. Here we describe an Orbitrap method optimized for the position-specific carbon isotope analysis of serine to test our hypothesis and discuss the generalizability of this method to other amino acids. Position-specific carbon isotope ratios of serine were measured using a Thermo Scientific™ Q Exactive™ GC Orbitrap™. Amino acids were hydrolyzed from Arabidopsis biomass, purified from potential matrix interferences, and derivatized alongside standards. Derivatized serine (N,O-bis(trifluoroacetyl)methyl ester) was isolated using gas chromatography, trapped in a reservoir, and purged into the electron ionization source over tens of minutes, producing fragment ions containing different combinations of atoms from the serine-derivative molecule. The 13 C/ 12 C ratios of fragments with monoisotopic masses of 110.0217, 138.0166, and 165.0037 Da were monitored in the mass analyzer and used to calculate position-specific δ 13 C values relative to a working standard. This methodology constrains position-specific δ 13 C values for nanomole amounts of serine isolated from chemically complex mixtures. The δ 13 C values of fragment ions of serine were characterized with ≤1‰ precisions, leading to propagated standard errors of 0.7–5‰ for each carbon position. Position-specific δ 13 C values differed by up to ca 28 ± 5‰ between serine molecules hydrolyzed from plants grown under contrasting pCO 2 , selected to promote different fluxes through photosynthesis and photorespiration. The method was validated using pure serine standards characterized offline. Here this study presents the first Orbitrap-based measurements of natural-abundance, position-specific carbon isotope variation in an amino acid isolated from a biological matrix. We present a method for the precise characterization of isotope ratios in serine and propose applications probing metabolism in plants. We discuss the potential for extending these approaches to other amino acids, paving the way for novel applications.

59 BASIC BIOLOGICAL SCIENCES↗

Blackcomb: Hardware-Software Co-design for Non-Volatile Memory in Exascale Systems

Summary of technical results of Blackcomb Memory Devices We explored various different memory technologies (STTRAM, PCRAM, FeRAM, and ReRAM). The progress can be classified into three categories, below. Modeling and Tool Releases Various modeling tools have been developed over the last decade to help in the design of SRAM or DRAM-based memory hierarchies. To explore new design opportunities that NVM technologies can bring to the designers, we have developed similar high-level models for NVM, including PCRAMsim [Dong 2009], NVSim [Dong 2012], and NVMain [Poremba 2012]. NVSim is a circuit-level model for NVM performance, energy, and area estimation, which supports various NVM technologies, including STT-RAM, PCRAM, ReRAM, and legacy NAND Flash. NVSim is successfully validated against industrial NVM prototypes, and it is expected to help boost architecture-level NVM-related studies. On the other side, NVMain is a cycle accurate main memory simulator designed to simulate emerging nonvolatile memories at the architectural level. We have released these models as open source tools and provided contiguous support to them. We also proposed PS3-RAM, which is a fast, portable and scalable statistical STT-RAM reliability analysis model [Wen 2012]. Design Space Exploration and Optimization With the support of these models, we explore different device/circuit optimization techniques. For example, in [Niu 2012a] we studied the power reduction technique for the application of ECC scheme in ReRAM designs and proposed to use ECC code to relax the BER (Bit Error Rate) requirement of a single memory to improve the write energy consumption and latency for both 1T1R and cross-point ReRAM designs. In [Xu 2011], we proposed a methodology to design STT-RAM for different optimization goals such as read performance, write performance and write energy by leveraging the trade-off between write current and write time of MTJ. We also studied the tradeoffs in building a reliable crosspoint ReRAM array [Niu 2012b]. We have conducted an in depth analysis of the circuit and system level design implications of multi-layer cross-point Resistive RAM (MLCReRAM) from performance, power and reliability perspectives [Xu 2013]. The objective of this study is to understand the design trade-offs of this technology with respect to the MLC Phase Change Memory (MLCPCM).Our MLC ReRAM design at the circuit and system levels indicates that different resistance allocation schemes, programming strategies, peripheral designs, and material selections profoundly affect the area, latency, power, and reliability of MLC ReRAM. Based on this analysis, we conduct two case studies: first we compare MLC ReRAM design against MLC phase-change memory (PCM) and multi-layer cross-point ReRAM design, and point out why multi-level ReRAM is appealing; second we further explore the design space for MLC ReRAM. Architecture and Application We explored hybrid checkpointing using phase-change memory for future exascale systems [Dong 2011] and showed that the use of nonvolatile memory for local checkpointing significantly increases the number of faults covered by local checkpoints and reduces the probability of a global failure in the middle of a global checkpoint to less than 1%. We also proposed a technique called i2WAP to mitigate the write variations in NVM-based last-level cache for the improvement of the NVM lifetime [Wang 2013]. Our wear leveling technique attempts to work around the limitations of write endurance by arranging data access so that write operations can be distributed evenly across all the storage cells. During our intensive research on fault-tolerant NVM design, we found that ECC cannot effectively tolerate hard errors from limited write endurance and process imperfection. Therefore, we devised a novel Point and Discard (PAD) architecture in in [ 2012] as a hard-error-tolerant architecture for ReRAM-based Last Level Caches. PAD improves the lifetime of ReRAM caches by 1.6X-440X under different process variations without performance overhead in the system's early life. We have investigated the applicability of NVM for persistent memory design [Zhao 2013]. New byte addressable NVM enables fast persistent memory that allows in-memory persistent data objects to be updated with much higher throughput. Despite the significant improvement, the performance of these designs is only 50% of the native system with no persistence support, due to the logging or copy-on-write mechanisms used to update the persistent memory. A challenge in this approach is therefore how to efficiently enable atomic, consistent, and durable updates to ensure data persistence that survives application and/or system failures. We have designed a persistent memory system, called Klin, that can provide performance as close as that of the native system. The Klin design adopts a non-volatile cache and a non-volatile main memory for constructing a multi-versioned durable memory system, enabling atomic updates without logging or copy-on-write. Our evaluation shows that the proposed Kiln mechanism can achieve up to 2X of performance improvement to NVRAM-based persistent memory employing write-ahead logging. In addition, our design has numerous practical advantages: a simple and intuitive abstract interface, microarchitecture-level optimizations, fast recovery from failures, and no redundant writes to slow non-volatile storage media. The work was published in MICRO 2013 and received Best Paper Honorable Mentioned Award.

97 MATHEMATICS AND COMPUTING↗

Economic optimization of operations for hybrid energy systems under variable markets

We prosed a hybrid energy systems (HES) which is an important element to enable increasing penetration of clean energy. Our paper investigates the operations flexibility of HES, and develops a methodology for operations optimization for maximizing economic value based on predicted renewable generation and market information. A multi-environment computational platform for performing such operations optimization is also developed. In order to compensate for prediction error, a control strategy is accordingly designed to operate a standby energy storage element (ESE) to avoid energy imbalance within HES. The proposed operations optimizer allows systematic control of energy conversion for maximal economic value. Simulation results of two specific HES configurations are included to illustrate the proposed methodology and computational capability. These results demonstrate the economic viability of HES under proposed operations optimizer, suggesting the diversion of energy for alternative energy output while participating in the ancillary service market. Economic advantages of such operations optimizer and associated flexible operations are illustrated by comparing the economic performance of flexible operations against that of constant operations. Sensitivity analysis with respect to market variability and prediction error, are also performed.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Case Study: Hybrid Carbon Conversion Using Low-Carbon Energy Sources in Coal-Producing States

The demand for more carbon efficient power sources and a decrease in natural gas prices has decreased the desire for coal power. This decrease in demand has led to massive job losses in coal mining regions over the past decade. The purpose of this project is to develop a hybrid energy system utilizing both a coal power plant and advanced reactor, which is competitive with natural gas by improving on profitability and decreasing carbon emissions. This report details the problem with a summary of the impact on the coal industry and the availability of renewable energy sources in the Appalachian region. Because of the geography of the region, variable renewable energy sources are not available without significant size and siting restrictions. However, biomass in the form of wood waste is abundant and can be used as a carbon neutral energy source. Combining biomass and coal processing, in addition to thermal power plants, can increase system profits and efficiency by providing peaking power and conversion opportunities for secondary markets. The electric load is based on publicly available demand data from Appalachian Power, which services the western Virginia and southern West Virginia in the Appalachian region. The demand information is combined by service, normalized, and scaled to an average demand of 1000 kW, which will be the basis for sizing the hybrid energy system. A traditional screening curve analysis for a coal plant and advanced reactor shows that the least cost design varies significantly based on the assumed discount rate and capital recovery period. An optimization program to size the design in TEAL based on the load curve gives 10 optimal designs, all with a negative resulting net present value (NPV) and a coal plant capacity of less than 15%. Including profits from selling captured carbon at a flat rate results in a positive NPV; however, the coal capacity factor only increases to about 40%. There are limitations with this optimization as well since the price of CO2 is likely to decrease as more is sold to the conversion market. The suggested design will combine coal power, an advanced reactor, and coal and biomass coprocessing to produce a variety of products that can be sold to the conversion market while increasing system efficiency. The analysis of conversion pathways for coal and biomass reveals that multiple options will need to be included in the analysis to produce the optimal system design. Three systems will be optimized and compared to determine the best design based on the figures of merit of total NPV and cost of carbon avoided. The first system will include a coal power plant and an advanced reactor that will sell electricity to the grid to meet demand and sell captured carbon to the conversion market. The second system adds a high-temperature steam electrolysis plant, which will utilize electricity during times of low demand to produce hydrogen and sell it to the conversion market. The third system adds biomass and coal processing with options for hydrocarbon oils, syngas to be produced for the conversion market, and electricity generation to power components within the system or provide peaking power. This analysis will be based on a new approach that combines traditional screening curve methods with a dispatch algorithm that optimizes the system based on the opportunity cost of different production options. The resulting optimization algorithm should provide results with less processing time than HERON’s decision tree method. The results from this analysis will determine an optimal design and reinforce the benefits of coal power when used in a hybrid energy system. The initial results show that the addition of a secondary market for carbon sales could result in a positive NPV and increases the capacity factor of the coal plant as compared to a design with only sales to the electricity market. The addition of more markets and additional coal consumption from biomass coprocessing could increase NPV further, replace carbon in other markets through the sale of biomass-derived hydrocarbons, and demonstrate the value of coal power technology.

01 COAL, LIGNITE, AND PEAT↗

Temperature dependence of the Goos–Hänchen shift in the nonlinear metal-dielectric nanocomposites

In this paper the temperature-dependent Goos–Hänchen (GH) shift of the nonlinear nanocomposites made of the ellipsoidal nonlinear metal nanoparticles and ellipsoidal dielectric nanoparticles is investigated theoretically in the range of the visible wavelengths. We used the effective medium approximation in the quasi-static regime to calculate the effective permittivity of a composite (ε{sub eff}) and the stationary phase method is utilized to investigate the GH shifts. Spectral representation theory has been used to obtain the local electric field in the nonlinear metal nanoparticles. The temperature impact on the GH shift is explained by the temperature-dependent permittivity of nonlinear metal nanoparticles in the range of 300–1200 K. Our numerical analysis revealed that in addition to the magnitude of the GH shift, the lower and upper threshold of the GH bistability as a nonlinear response will be affected by a temperature increment. So that, the width of the bistability, i.e., the difference between the low and high threshold of bistability, can be tuned by temperature. It is important to note that the GH shift can be switched from positive to negative values in high temperatures for a given physical parameters. This effect can open the interesting possibility of optical switching in the considered structures. Moreover, the occurrence of optical bistability as a function of the volume fraction of nanoparticles and depolarization factor (indicating the shape of nanoparticles) are discussed. Finally, the influence of the wavelength and intensity of the incident light on the nonlinear GH shift is presented. Optimizing the results of the present work may be practically utilized in the designing of optical switching-based devices including metal-dielectric nanocomposites.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Evaluation of Missed Energy Saving Opportunity Based on Illinois Home Performance Program Field Data: Homeowner Selected Upgrades Versus Cost-Optimized Solutions

Expanding on previous research by PARR, this study compares measure packages installed during 800 Illinois Home Performance with ENERGY STAR® (IHP) residential retrofits to those recommended as cost-optimal by Building Energy Optimization (BEopt™) modeling software. In previous research, cost-optimal measure packages were identified for fifteen Chicagoland single family housing archetypes, called housing groups. In the present study, 800 IHP homes are first matched to one of these fifteen housing groups, and then the average measures being installed in each housing group are modeled using BEopt to estimate energy savings. For most housing groups, the differences between recommended and installed measure packages is substantial. By comparing actual IHP retrofit measures to BEopt-recommended cost-optimal measures, missed savings opportunities are identified in some housing groups; also, valuable information is obtained regarding housing groups where IHP achieves greater savings than BEopt-modeled, cost-optimal recommendations. Additionally, a measure-level sensitivity analysis conducted for one housing group reveals which measures may be contributing the most to gas and electric savings. Overall, the study finds not only that for some housing groups, the average IHP retrofit results in more energy savings than would result from cost-optimal, BEopt recommended measure packages, but also that linking home categorization to standardized retrofit measure packages provides an opportunity to streamline the process for single family home energy retrofits and maximize both energy savings and cost-effectiveness.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Evaluation of Missed Energy Saving Opportunity Based on Illinois Home Performance Program Field Data: Homeowner Selected Upgrades vs. Cost-Optimized Solutions; Chicago, Illinois (Fact Sheet)

Expanding on previous research by PARR, this study compares measure packages installed during 800 Illinois Home Performance with ENERGY STAR (IHP) residential retrofits to those recommended as cost-optimal by Building Energy Optimization (BEopt) modeling software. In previous research, cost-optimal measure packages were identified for fifteen Chicagoland single family housing archetypes, called housing groups. In the present study, 800 IHP homes are first matched to one of these fifteen housing groups, and then the average measures being installed in each housing group are modeled using BEopt to estimate energy savings. For most housing groups, the differences between recommended and installed measure packages is substantial. By comparing actual IHP retrofit measures to BEopt-recommended cost-optimal measures, missed savings opportunities are identified in some housing groups; also, valuable information is obtained regarding housing groups where IHP achieves greater savings than BEopt-modeled, cost-optimal recommendations. Additionally, a measure-level sensitivity analysis conducted for one housing group reveals which measures may be contributing the most to gas and electric savings. Overall, the study finds not only that for some housing groups, the average IHP retrofit results in more energy savings than would result from cost-optimal, BEopt-recommended measure packages, but also that linking home categorization to standardized retrofit measure packages provides an opportunity to streamline the process for single family home energy retrofits and maximize both energy savings and cost-effectiveness.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Evaluation of Missed Energy Saving Opportunity Based on Illinois Home Performance Program Field Data: Homeowner Selected Upgrades Versus Cost-Optimized Solutions

Expanding on previous research by PARR, this study compares measure packages installed during 800 Illinois Home Performance with ENERGY STAR® (IHP) residential retrofits to those recommended as cost-optimal by Building Energy Optimization (BEopt) modeling software. In previous research, cost-optimal measure packages were identified for 15 Chicagoland single family housing archetypes. In the present study, 800 IHP homes are first matched to one of these 15 housing groups, and then the average measures being installed in each housing group are modeled using BEopt to estimate energy savings. For most housing groups, the differences between recommended and installed measure packages is substantial. By comparing actual IHP retrofit measures to BEopt-recommended cost-optimal measures, missed savings opportunities are identified in some housing groups; also, valuable information is obtained regarding housing groups where IHP achieves greater savings than BEopt-modeled, cost-optimal recommendations. Additionally, a measure-level sensitivity analysis conducted for one housing group reveals which measures may be contributing the most to gas and electric savings. Overall, the study finds not only that for some housing groups, the average IHP retrofit results in more energy savings than would result from cost-optimal, BEopt recommended measure packages, but also that linking home categorization to standardized retrofit measure packages provides an opportunity to streamline the process for single family home energy retrofits and maximize both energy savings and cost effectiveness.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Parameter Analysis of the VPIN (Volume synchronized Probability of Informed Trading) Metric

VPIN (Volume synchronized Probability of Informed trading) is a leading indicator of liquidity-induced volatility. It is best known for having produced a signal more than hours before the Flash Crash of 2010. On that day, the market saw the biggest one-day point decline in the Dow Jones Industrial Average, which culminated to the market value of $1 trillion disappearing, but only to recover those losses twenty minutes later (Lauricella 2010). The computation of VPIN requires the user to set up a handful of free parameters. The values of these parameters significantly affect the effectiveness of VPIN as measured by the false positive rate (FPR). An earlier publication reported that a brute-force search of simple parameter combinations yielded a number of parameter combinations with FPR of 7%. This work is a systematic attempt to find an optimal parameter set using an optimization package, NOMAD (Nonlinear Optimization by Mesh Adaptive Direct Search) by Audet, le digabel, and tribes (2009) and le digabel (2011). We have implemented a number of techniques to reduce the computation time with NOMAD. Tests show that we can reduce the FPR to only 2%. To better understand the parameter choices, we have conducted a series of sensitivity analysis via uncertainty quantification on the parameter spaces using UQTK (Uncertainty Quantification Toolkit). Results have shown dominance of 2 parameters in the computation of FPR. Using the outputs from NOMAD optimization and sensitivity analysis, We recommend A range of values for each of the free parameters that perform well on a large set of futures trading records.

97 MATHEMATICS AND COMPUTING↗

Stretching the limits of forming processes by robust optimization: A demonstrator

Robust design of forming processes using numerical simulations is gaining attention throughout the industry. In this work, it is demonstrated how robust optimization can assist in further stretching the limits of metal forming processes. A deterministic and a robust optimization study are performed, considering a stretch-drawing process of a hemispherical cup product. For the robust optimization study, both the effect of material and process scatter are taken into account. For quantifying the material scatter, samples of 41 coils of a drawing quality forming steel have been collected. The stochastic material behavior is obtained by a hybrid approach, combining mechanical testing and texture analysis, and efficiently implemented in a metamodel based optimization strategy. The deterministic and robust optimization results are subsequently presented and compared, demonstrating an increased process robustness and decreased number of product rejects by application of the robust optimization approach.

36 MATERIALS SCIENCE↗

Stiff isotropic lattices beyond the Maxwell criterion

Materials with a stochastic microstructure, like foams, typically exhibit low mechanical stiffness, whereas lattices with a designed microarchitecture often show notably improved stiffness. These periodic architected materials have previously been designed by rule, using the Maxwell criterion to ensure that their deformation is dominated by the stretching of their struts. Classical designs following this rule tend to be anisotropic, with stiffness depending on the load orientation, but recently, isotropic designs have been reported by superimposing complementary anisotropic lattices. We have designed stiff isotropic lattices de novo with topology optimization, an approach based on continuum finite element analysis. Here, we present results of experiments on these lattices, fabricated by additive manufacturing, that validate predictions of their performance and demonstrate that they are as efficient as those designed by rule, despite appearing to violate the Maxwell criterion. These results highlight the enhanced potential of topology optimization to design materials with unprecedented properties.

42 ENGINEERING↗

Spider silk MASP1 and MASP2 proteins as carbon fiber precursors

The objective of this project is to develop an unconventional non-petroleum based carbon fiber precursor which has the potential to be produced in high yield and quantities. Methods will be developed to produce pilot-scale quantities of fibers from spider silk proteins with mechanical properties at least 75% that of the natural dragline silk fibers in tensile strength and elongations of less than 5%. The precursor fibers will be converted to carbon fibers, with a goal of >250Ksi strength and 1-2% elongation. Cost analysis will be performed and the process optimized. Task 1: Subtask 1. Protein production: We exceeded the go/ no go milestone of 1.0g/L of one of the spider silk protein (MSp2) purified last FY and have now increased from 5L to 500L fermentations. We have made a series of changes to the purification protocol from the initial report last FY. These led to a reduction in the time needed for the purification and reduced the purification costs by nearly 90%. Subtask 2. Fiber spinning: The major focus has been to produce more material to send 24 fiber thread to ONRL. We are still developing the methodology to successfully spin 24 fiber yarns. This involves both the spinning dope solutions as well as the methods to keep the fibers from fusing during the post spin stretch. The second area of focus has been to standardize the spin dopes for making the fibers. We now know that the conductivity (indicative of salt remaining with the protein after purification) is an important factor in successful spinning as is the pH. We now know that we need to be below 600 uS conductivity and that the most effective pH is protein dependent. Subtask 3. Silkworm silk: We have found the transgenic silkworms made using gene replacement at the fibroin light chain instead of heavy chain as we did previously have a higher tensile strength. See figures below showing the curve for the top end of the cocoon fibers. This tensile strength is the same as the average for spider dragline silk. Task 2. Carbonization: The major accomplishment in the latter part of the work is that the ONRL group has successfully heated the spider silk protein fibers all the way up to 1700°C and produced a very competitive carbon fiber based on mechanical properties. Several important factors were discovered during these initial trials: 1) the ramp speed for increasing the temperature is critical; 2) maintaining tension on the fiber during the heating process because as it is heated it tends to expand; and 3) narrow temperature window in which stretching the fiber during heating leads to much better final materials. Task 3. Techno-Economic Methods: The techno-economic analysis was expanded to determine the relative cost of production with the bacterial production system compared to the transgenic alfalfa and goat production systems. The comparisons show two important things. For all systems the key factor in the final price is the amount of spider silk protein produced for whatever measure of volume or weight is used. Second alfalfa can be the cheapest but is subject to the possible regulatory control unless the US develops a more comprehensive approach to GMOs. The silkworm analysis was not completed due to a variety of confounding factors. The primary one was that if the production were shifted overseas then the cost would likely be nearly equivalent to current silk prices of $5-15/kg. However if concerns about the location of production is important then it would need to be done in the US and initial costs would be much higher but if the later scenario is utilized then the cost would be lowered but it was not possible to calculate exact costs.

36 MATERIALS SCIENCE↗

ADMS State of the Industry and Gap Analysis

An Advanced distribution management system (ADMS) is a platform for optimized distribution system operational management. This platform comprises of distribution management system (DMS) applications, supervisory control and data acquisition (SCADA), outage management system (OMS), and distributed energy resource management system (DERMS). One of the primary objectives of this work is to study and analyze several ADMS component and auxiliary systems. All the important component and auxiliary systems, SCADA, GISs, DMSs, AMRs/AMIs, OMSs, and DERMS, are discussed in this report. Their current generation technologies are analyzed, and their integration (or evolution) with an ADMS technology is discussed. An ADMS technology state of the art and gap analysis is also presented. There are two technical gaps observed. The integration challenge between the component operational systems is the single largest challenge for ADMS design and deployment. Another significant challenge noted is concerning essential ADMS applications, for instance, fault location, isolation, and service restoration (FLISR), volt-var optimization (VVO), etc. There are a relatively small number of ADMS application developers as ADMS software platform is not open source. There is another critical gap and while not being technical in nature (when compared the two above) is still important to consider. The data models currently residing in utility GIS systems are either incomplete or inaccurate or both. This data is essential for planning and operations because it is typically one of the primary sources from which power system model are created. To achieve the full potential of ADMS, the ability to execute acute Power Flow solution is an important pre-requisite. These critical gaps are hindering wider Utility adoption of an ADMS technology. The development of an open architecture platform can eliminate many of these barriers and also aid seamless integration of distribution Utility legacy systems with an ADMS.

24 POWER TRANSMISSION AND DISTRIBUTION↗