SEARCH · Engineering Papers

Results for “instance selection”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 145 records · Page 8

All sources NASA NTRS DOE OSTI

DOE OSTI2020

Properties of F Stars with Stable Radial Velocity Timeseries: A Useful Metric for Selecting Low-jitter F Stars

In a companion paper, we have conducted an in-depth analysis of radial velocity jitter of over 600 stars, examining the astrophysical origins including stellar granulation, oscillation, and magnetic activity. In this paper, we highlight a subsample of those stars, specifically the main sequence and “retired” F stars—which we refer to as “MSRF” stars—that show low levels of RV jitter (<10 m s{sup −1}). We describe the observational signatures of these stars that allow them to be identified in radial velocity planet programs, for instance, those performing follow-up of transiting planets discovered by TESS. We introduce a “jitter metric” that combines the two competing effects of RV jitter with age: activity and convection. Using thresholds in the jitter metric, we can select both “complete” and “pure” samples of low jitter F stars. We also provide recipes for identifying these stars using only Gaia colors and magnitudes. Finally, we describe a region in the Gaia color–magnitude diagram where low jitter F stars are most highly concentrated. By fitting a ninth-order polynomial to the Gaia main sequence, we use the height above the main sequence as a proxy for evolution, allowing for a crude selection of low jitter MSRF stars when activity measurements are otherwise unavailable.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

Multiplex growth rate phenotyping of synthetic mutants in selection to engineer glucose and xylose co‐utilization in Escherichia coli

ABSTRACT Engineering the simultaneous consumption of glucose and xylose sugars is critical to enable the sustainable production of biofuels from lignocellulosic biomass. In most major industrial microorganisms glucose completely inhibits the uptake of xylose, limiting efficient sugar mixture conversion. In E . coli removal of the major glucose transporter PTS allows for glucose and xylose co‐consumption but only after prolonged adaptation, which is an effective process but hard to control and prone to co‐evolving undesired traits. Here we synthetically engineer mutants to target sugar co‐consumption properties; we subject a PTS − mutant to a short adaptive step and subsequently either delete or overexpress key genes previously suggested to affect sugar consumption. Screening the co‐consumption properties of these mutants individually is very laborious. We show we can evaluate sugar co‐consumption properties in parallel by culturing the mutants in selection and applying a novel approach that computes mutant growth rates in selection using chromosomal barcode counts obtained from Next‐Generation Sequencing. We validate this multiplex growth rate phenotyping approach with individual mutant pure cultures, identify new instances of mutants cross‐feeding on metabolic byproducts, and, importantly, find that the rates of glucose and xylose co‐consumption can be tuned by altering glucokinase expression in our PTS − background. Biotechnol. Bioeng. 2017;114: 885–893. © 2016 Wiley Periodicals, Inc.

Groot, Joost↗

DOE OSTI2024

Decomposing a renewable energy design and dispatch model

We address a mixed-integer linear programming model which selects a cost-minimizing set of available technologies with which to design a renewable energy system and prescribe their associated dispatch decisions. Realistically sized instances of such models pose computational challenges. To this end, we develop a Lagrangian heuristic based on a decomposition methodology which partitions the model into blocks and optimizes these more manageable, smaller subproblems. It also provides a lower bound to assess solution quality. In conclusion, we apply this methodology to the National Renewable Energy Laboratory's Renewable Energy Integration and Optimization (REopt TM ) model to generate near-optimal solutions to realistic instances containing, on average, approximately 300,000 variables and at least as many constraints, with a mean 30% optimality gap improvement using a five-minute solution time limit, compared to directly solving the original monolith.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

Assessment of the analysis capability for core-wide PWR pellet-clad interaction screening of Watts Bar Unit 1

This report illustrates the application of the Virtual Environment for Reactor Applications simulation environment to pressurized water reactor core-wide pellet-clad interaction screening, with emphasis on the multi-dimensional analysis capabilities of the BISON fuel performance code. The Virtual Environment for Reactor Applications codes utilized in this effort include the BISON fuel performance code and the VERA-CS sub-element, which combines the MPACT neutron transport code and the COBRA-TF thermal-hydraulics code. The target reactor for this work is Watts Bar Unit 1, cycle 6 and cycle 7, selected on the basis that pellet-clad interaction failures had occurred during power start up in both cycles, despite the moderate power levels. These instances of failure at Watts Bar Unit 1 offered an interesting test of the code’s veracity and a particularly challenging condition for this assessment.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2026

Biomass Demineralization: A Critical Need for Future Biorefineries

Biomass contains up to 14 essential elements that serve as nutrients for plant growth and development, including photosynthesis and enzyme functionalities. These elements in different chemical forms (e.g., minerals) constitute the inorganic fraction of biomass and can cause operational issues in thermal and biochemical biomass conversion technologies. In biomass gasification and pyrolysis processes, for instance, inorganics can cause fouling, tar formation, and corrosion. In catalytic and biochemical processes, inorganics can poison catalysts, alter biochemical pathways, and modify product yields and selectivity. This review provides an overview of the inorganic content in biomass feedstocks, the critical role inorganics play in plant biochemistry, the effect that inorganics have in various thermochemical and biochemical biomass conversion technologies, and different approaches to remove them from biomass. We provide recommendations for future research, focusing on developing technologies to effectively remove inorganics from biomass, using the inorganics to improve soil quality and for alternative applications, and designing biorefineries to convert demineralized biomass obtained from diverse sources.

09 - BIOMASS FUELS↗

NASA NTRS1950

The effects of variations in Reynolds number between 3.0 x 10sub6 and 25.0 x 10sub6 upon the aerodynamic characteristics of a number of NACA 6-series airfoil sections

Results are presented of an investigation made to determine the two-dimensional lift and drag characteristics of nine NACA 6-series airfoil section at Reynolds numbers of 15.0 x 10sub6, 20.0 x 10sub6, and 25.0 x 10sub6. Also presented are data from NACA Technical Report 824 for the same airfoils at Reynolds numbers of 3.0 x 10sub6, 6.0 x 10sub6, and 9.0 x 10sub6. The airfoils selected represent sections having variations in the airfoil thickness, thickness form, and camber. The characteristics of an airfoil with a split flap were determined in one instance, as was the effect of surface roughness. Qualitative explanations in terms of flow behavior are advanced for the observed types of scale effect.

Loftin, Laurence K, Jr↗

NASA NTRS1994

Numerical comparison of convective heat transfer augmentation devices used in cooling channels of hypersonic vehicles

Hypersonic vehicles are exposed to extreme thermal conditions compared to subsonic aircraft; therefore, some level of thermal management is required to protect the materials used. Normally, hypersonic vehicles experience the highest temperatures in the nozzle throat, and aircraft and propulsion system leading edges. Convective heat transfer augmentation techniques can be used in the thermal management system to increase heat transfer of the cooling channels in those areas. The techniques studied in this report are pin-fin, offset-fin, ribbed and straight roughened channel. A smooth straight channel is used as the baseline for comparing the techniques. SINDA '85, a lumped parameter finite difference thermal analyzer, is used to model the channels. Subroutines are added to model the fluid flow assuming steady one dimensional compressible flow with heat addition and friction. Correlations for convective heat transfer and friction are used in conjunction with the fluid flow analysis mentioned. As expected, the pin-fin arrangement has the highest heat transfer coefficient and the largest pressure drop. All the other devices fall in between the pin-fin and smooth straight channel. The selection of the best heat augmentation method depends on the design requirements. A good approach may be a channel using a combination of the techniques. For instance, several rows of pin-fins may be located at the region of highest heat flux, surrounded by some of the other techniques. Thus, the heat transfer coefficient is maximized at the region of highest heat flux while the pressure drop is not excessive.

Maldonado, Jaime J.↗

DOE OSTI2016

Model for mapping settlements

A programmable media includes a graphical processing unit in communication with a memory element. The graphical processing unit is configured to detect one or more settlement regions from a high resolution remote sensed image based on the execution of programming code. The graphical processing unit identifies one or more settlements through the execution of the programming code that executes a multi-instance learning algorithm that models portions of the high resolution remote sensed image. The identification is based on spectral bands transmitted by a satellite and on selected designations of the image patches.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2011

Compression Behavior of Fluted-Core Composite Panels

In recent years, fiber-reinforced composites have become more accepted for aerospace applications. Specifically, during NASA s recent efforts to develop new launch vehicles, composite materials were considered and baselined for a number of structures. Because of mass and stiffness requirements, sandwich composites are often selected for many applications. However, there are a number of manufacturing and in-service concerns associated with traditional honeycomb-core sandwich composites that in certain instances may be alleviated through the use of other core materials or construction methods. Fluted-core, which consists of integral angled web members with structural radius fillers spaced between laminate face sheets, is one such construction alternative and is considered herein. Two different fluted-core designs were considered: a subscale design and a full-scale design sized for a heavy-lift-launch-vehicle interstage. In particular, axial compression of fluted-core composites was evaluated with experiments and finite-element analyses (FEA); axial compression is the primary loading condition in dry launch-vehicle barrel sections. Detailed finite-element models were developed to represent all components of the fluted-core construction, and geometrically nonlinear analyses were conducted to predict both buckling and material failures. Good agreement was obtained between test data and analyses, for both local buckling and ultimate material failure. Though the local buckling events are not catastrophic, the resulting deformations contribute to material failures. Consequently, an important observation is that the material failure loads and modes would not be captured by either linear analyses or nonlinear smeared-shell analyses. Compression-after-impact (CAI) performance of fluted core composites was also investigated by experimentally testing samples impacted with 6 ft.-lb. impact energies. It was found that such impacts reduced the ultimate load carrying capability by approximately 40% on the subscale test articles and by less than 20% on the full-scale test articles. Nondestructive inspection of the damage zones indicated that the detectable damage was limited to no more than one flute on either side of any given impact. More study is needed, but this may indicate that an inherent damage-arrest capability of fluted core could provide benefits over traditional sandwich designs in certain weight-critical applications.

Schultz, Marc R.↗

NASA NTRS2014

Service Life Extension of the Propulsion System of Long-Term Manned Orbital Stations

One of the critical non-replaceable systems of a long-term manned orbital station is the propulsion system. Since the propulsion system operates beginning with the launch of station elements into orbit, its service life determines the service life of the station overall. Weighing almost a million pounds, the International Space Station (ISS) is about four times as large as the Russian space station Mir and about five times as large as the U.S. Skylab. Constructed over a span of more than a decade with the help of over 100 space flights, elements and modules of the ISS provide more research space than any spacecraft ever built. Originally envisaged for a service life of fifteen years, this Earth orbiting laboratory has been in orbit since 1998. Some elements that have been launched later in the assembly sequence were not yet built when the first elements were placed in orbit. Hence, some of the early modules that were launched at the inception of the program were already nearing the end of their design life when the ISS was finally ready and operational. To maximize the return on global investments on ISS, it is essential for the valuable research on ISS to continue as long as the station can be sustained safely in orbit. This paper describes the work performed to extend the service life of the ISS propulsion system. A system comprises of many components with varying failure rates. Reliability of a system is the probability that it will perform its intended function under encountered operating conditions, for a specified period of time. As we are interested in finding out how reliable a system would be in the future, reliability expressed as a function of time provides valuable insight. In a hypothetical bathtub shaped failure rate curve, the failure rate, defined as the number of failures per unit time that a currently healthy component will suffer in a given future time interval, decreases during infant-mortality period, stays nearly constant during the service life and increases at the end when the design service life ends and wear-out phase begins. However, the component failure rates do not remain constant over the entire cycle life. The failure rate depends on various factors such as design complexity, current age of the component, operating conditions, severity of environmental stress factors, etc. Development, qualification and acceptance test processes provide rigorous screening of components to weed out imperfections that might otherwise cause infant mortality failures. If sufficient samples are tested to failure, the failure time versus failure quantity can be analyzed statistically to develop a failure probability distribution function (PDF), a statistical model of the probability of failure versus time. Driven by cost and schedule constraints however, spacecraft components are generally not tested in large numbers. Uncertainties in failure rate and remaining life estimates increase when fewer units are tested. To account for this, spacecraft operators prefer to limit useful operations to a period shorter than the maximum demonstrated service life of the weakest component. Running each component to its failure to determine the maximum possible service life of a system can become overly expensive and impractical. Spacecraft operators therefore, specify the required service life and an acceptable factor of safety (FOS). The designers use these requirements to limit the life test duration. Midway through the design life, when benefits justify additional investments, supplementary life test may be performed to demonstrate the capability to safely extend the service life of the system. An innovative approach is required to evaluate the entire system, without having to go through an elaborate test program of propulsion system elements. Evaluating every component through a brute force test program would be a cost prohibitive and time consuming endeavor. ISS propulsion system components were designed and built decades ago. There are no representative ground test articles for some of the components. A 'test everything' approach would require manufacturing new test articles. The paper outlines some of the techniques used for selective testing, by way of cherry picking candidate components based on failure mode effects analysis, system level impacts, hazard analysis, etc. The type of testing required for extending the service life depends on the design and criticality of the component, failure modes and failure mechanisms, life cycle margin provided by the original certification, operational and environmental stresses encountered, etc. When specific failure mechanism being considered and the underlying relationship of that mode to the stresses provided in the test can be correlated by supporting analysis, time and effort required for conducting life extension testing can be significantly reduced. Exposure to corrosive propellants over long periods of time, for instance, lead to specific failure mechanisms in several components used in the propulsion system. Using Arrhenius model, which is tied to chemically dependent failure mechanisms such as corrosion or chemical reactions, it is possible to subject carefully selected test articles to accelerated life test. Arrhenius model reflects the proportional relationship between time to failure of a component and the exponential of the inverse of absolute temperature acting on the component. The acceleration factor is used to perform tests at higher stresses that allow direct correlation between the times to failure at a high test temperature to the temperatures to be expected in actual use. As long as the temperatures are such that new failure mechanisms are not introduced, this becomes a very useful method for testing to failure a relatively small sample of items for a much shorter amount of time. In this article, based on the example of the propulsion system of the first ISS module Zarya, theoretical approaches and practical activities of extending the service life of the propulsion system are reviewed with the goal of determining the maximum duration of its safe operation.

Kamath, Ulhas↗

DOE OSTI2024

AIACHNE's contribution for Nuclear Energy Agency Working Party on International Nuclear Data Evaluation Co-operation Subgroup 50

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

AIACHNE's contribution for Nuclear Energy Agency Working Party on International Nuclear Data Evaluation Co-operation Subgroup 50

The AIACHNE (AI/ML Informed cAlifornium CHi Nuclear data Experiment) project aims at designing an experiment for the 252 Cf Prompt Fission Neutron Spectrum (PFNS) that explores systematic biases in an experimental database retrieved from the EXFOR databases. To that end, machine learning (ML) methods were applied to pint-point measurement features likely related to bia. From that information, we selected a feature that should be explored by the AIACHNE experiment. Measurement features are metadata encapsulating all pertinent information about the physical measurement and analysis techniques. Examples are, for instance, what neutron and fission detectors were used for the physical metadata, and what background reduction techniques were employed for analysis techniques. Such metadata were retrieved both from EXFOR entries as well as the literature of data sets described in detail in Ref. [2]. The prerequisite for applying machine learning techniques is casting the metadata into a format that can be parsed by the algorithm. This step might seem trivial but requires to find a unique language where metadata that carry the same physics meaning across several experiments must have the same identifier. One example is, for instance, the neutron detector. As seen in Figure 1, the machine learning code identified the use of 6 Li detectors as being related to bias in some datasets of the AIACHNE 252 Cf PFNS experimental database. In fact, here are several experiments that used neutron detectors containing 6Li in the database, for instance for the example below. EXFOR format has a unique keywords describing detectors such as “SCIN” or “GLASD”. One may think that these keywords are already sufficient descriptors for ML to uniquely find an issue. However, “SCIN” (used for [3, 4]) and “GLASD” (used for [5]) fail to inform the algorithm what is the active material in the detector. And, the key common issue leading to bias in 252 Cf related to neutron detectors is not whether it is a glass detector or a scintillator. No, the issue is that 6 Li was within both detector types and that even small mistakes in the detector response functions around approximately 200 keV are amplified by the 6 Li(n,α) resonance there leading to bias in data as highlighted in Fig. 1 and Ref. [1]. Hence, the features describing the neutron detector must call out the active material in the detector, rather than the existing EXFOR detector keyword, that the ML algorithm can find physically meaningful features related to bias. The AIACHNE team used a precursor of the WPEC (Working Party on International Nuclear Data Evaluation Co-operation) SG(Subgroup)-50 format to store the metadata for the ML analysis.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS2004

Distributive On-line Processing, Visualization and Analysis System for Gridded Remote Sensing Data

The ability to use data stored in the current Earth Observing System (EOS) archives for studying regional or global phenomena is highly dependent on having a detailed understanding of the data's internal structure and physical implementation. Gaining this understanding and applying it to data reduction is a time- consuming task that must be undertaken before the core investigation can begin. This is an especially difficult challenge when science objectives require users to deal with large multi-sensor data sets that are usually of different formats, structures, and resolutions, for example, when preparing data for input into modeling systems. The NASA Goddard Earth Sciences Data and Information Services Center (GES DISC) has taken a major step towards meeting this challenge by developing an infrastructure with a Web interface that allows users to perform interactive analysis online without downloading any data, the GES-DISC Interactive Online Visualization and Analysis Infrastructure or "Giovanni." Giovanni provides interactive, online, analysis tools for data users to facilitate their research. There have been several instances of this interface created to serve TRMM users, Aerosol scientists, Ocean Color and Agriculture applications users. The first generation of these tools support gridded data only. The user selects geophysical parameters, area of interest, time period; and the system generates an output on screen in a matter of seconds. The currently available output options are: Area plot averaged or accumulated over any available data period for any rectangular area; Time plot time series averaged over any rectangular area; Time plots image view of any longitude-time and latitude-time cross sections; ASCII output for all plot types; Image animation for area plot. In the future, we will add correlation plots, GIS-compatible outputs, etc. This allow user to focus on data content (i.e. science parameters) and eliminate the need for expensive learning, development and processing tasks that are redundantly incurred by an archive's user community. The current implementation utilizes the GrADS-DODS Server (GDS), a stable, secure data server that provides subsetting and analysis services across the Internet for any GrADS-readable dataset. The subsetting capability allows users to retrieve a specified temporal and/or spatial subdomain from a large dataset, eliminating the need to download everything simply to access a small relevant portion of a dataset. The analysis capability allows users to retrieve the results of an operation applied to one or more datasets on the server. In our case, we use this approach to read pre-processed binary files and/or to read and extract the needed parts from HDF or HDF-EOS files. These subsets then serve as inputs into GrADS processing and analysis scripts. It can be used in a wide variety of Earth science applications: climate and weather events study and monitoring; modeling. It can be easily configured for new applications.

Leptoukh, G.↗

NASA NTRS2005

NASA GES DISC On-line Visualization and Analysis System for Gridded Remote Sensing Data

The ability to use data stored in the current NASA Earth Observing System (EOS) archives for studying regional or global phenomena is highly dependent on having a detailed understanding of the data's internal structure and physical implementation. Gaining this understanding and applying it to data reduction is a time-consuming task that must be undertaken before the core investigation can begin. This is an especially difficult challenge when science objectives require users to deal with large multi-sensor data sets that are usually of different formats, structures, and resolutions. The NASA Goddard Earth Sciences Data and Information Services Center (GES DISC) has taken a major step towards meeting this challenge by developing an infrastructure with a Web interface that allows users to perform interactive analysis online without downloading any data, the GES-DISC Interactive Online Visualization and Analysis Infrastructure or "Giovanni." Giovanni provides interactive, online, analysis tools for data users to facilitate their research. There have been several instances of this interface created to serve TRMM users, Aerosol scientists, Ocean Color and Agriculture applications users. The first generation of these tools support gridded data only. The user selects geophysical parameters, area of interest, time period; and the system generates an output on screen in a matter of seconds. The currently available output options are: Area plot averaged or accumulated over any available data period for any rectangular area; Time plot time series averaged over any rectangular area; Hovmoller plots image view of any longitude-time and latitude-time cross sections; ASCII output for all plot types; Image animation for area plot. Another analysis suite deals with parameter intercomparison: scatter plots, temporal correlation maps, GIs-compatible outputs, etc. This allow user to focus on data content (i.e. science parameters) and eliminate the need for expensive learning, development and processing tasks that are redundantly incurred by an archive's user community. The current implementation utilizes the GrADS-DODS Server (GDS), and provides subsetting and analysis services across the Internet for any GrADS-readable dataset. The subsetting capability allows users to retrieve a specified temporal and/or spatial subdomain from a large dataset, eliminating the need to download everything simply to access a small relevant portion of a dataset. The analysis capability allows users to retrieve the results of an operation applied to one or more datasets on the server. We use this approach to read pre-processed binary files and/or to read and extract the needed parts directly from HDF or HDF-EOS files. These subsets then serve as inputs into GrADS analysis scripts. It can be used in a wide variety of Earth science applications: climate and weather events study and monitoring; modeling. It can be easily configured for new applications.

Leptoukh, Gregory G.↗

DOE OSTI2022

Designing Sites in Heterogeneous Catalysis: Are We Reaching Selectivities Competitive With Those of Homogeneous Catalysts?

A critical review of different prominent nanotechnologies adapted to catalysis is provided, with focus on how they contribute to the improvement of selectivity in heterogeneous catalysis. Ways to modify catalytic sites range from the use of the reversible or irreversible adsorption of molecular modifiers to the immobilization or tethering of homogeneous catalysts and the development of well-defined catalytic sites on solid surfaces. The latter covers methods for the dispersion of single-atom sites within solid supports as well as the use of complex nanostructures, and it includes the post-modification of materials via processes such as silylation and atomic layer deposition. All these methodologies exhibit both advantages and limitations, but all offer new avenues for the design of catalysts for specific applications. Because of the high cost of most nanotechnologies and the fact that the resulting materials may exhibit limited thermal or chemical stability, they may be best aimed at improving the selective synthesis of high value-added chemicals, to be incorporated in organic synthesis schemes, but other applications are being explored as well to address problems in energy production, for instance, and to design greener chemical processes. Finally, the details of each of these approaches are discussed, and representative examples are provided. We conclude with some general remarks on the future of this field.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

Workshop on Incomplete Network Data Held at Sandia National Labs – Livermore

While network analysis is applied in a broad variety of scientific fields (including physics, computer science, biology, and the social sciences), how networks are constructed and the resulting bias and incompleteness have drawn more limited attention. For example, in biology, gene networks are typically developed via experiment -- many actual interactions are likely yet to be discovered. In addition to this incompleteness, the data-collection processes can introduce significant bias into the observed network datasets. For instance, if you observe part of the World Wide Web network through a classic random walk, then high degree nodes are more likely to be found than if you had selected nodes at random. Unfortunately, such incomplete and biasing data collection methods must be often used.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1992

Effects of long-term exposure on LDEF fastener assemblies

This presentation summarizes the Systems Special Investigations Group (SIG) findings from testing and analysis of fastener assemblies used on the Long Duration Exposure Facility (LDEF) structure, the tray mounting clamps, and by the various experimenters. The LDEF deintegration team and several experimenters noted severe fastener damage and hardware removal difficulties during post-flight activities. The System SIG has investigated all reported instances, and in all cases examined to date, the difficulties were attributed to galling during installation or post-flight removal. To date, no evidence of coldwelding was found. Correct selection of materials and lubricants as well as proper mechanical procedures is essential to ensure successful on-orbit or post-flight installation and removal of hardware.

Spear, Steve↗

DOE OSTI2018

Control of Epitaxial BaFe 2 As 2 Atomic Configurations with Substrate Surface Terminations

Atomic layer controlled growth of epitaxial thin films of unconventional superconductors opens the opportunity to discover novel high temperature superconductors. For instance, the interfacial atomic configurations may play an important role in superconducting behavior of monolayer FeSe on SrTiO 3 and other Fe-based superconducting thin films. Here, we demonstrate a selective control of the atomic configurations in Co-doped BaFe 2 As 2 epitaxial thin films and its strong influence on superconducting transition temperatures by manipulating surface termination of (001) SrTiO 3 substrates. In a combination of first-principles calculations and high-resolution scanning transmission electron microscopy imaging, we show that Co-doped BaFe 2 As 2 on TiO 2 -terminated SrTiO 3 is a tetragonal structure with an atomically sharp interface and with an initial Ba layer. In contrast, Co-doped BaFe 2 As 2 on SrO-terminated SrTiO 3 has a monoclinic distortion and a BaFeO 3-x initial layer. Furthermore, the superconducting transition temperature of Co-doped BaFe 2 As 2 ultrathin films on TiO 2 -terminated SrTiO 3 is significantly higher than that on SrO-terminated SrTiO 3 , which we attribute to shaper interfaces with no lattice distortions. As a result, this study allows the design of the interfacial atomic configurations and the effects of the interface on superconductivity in Fe-based superconductors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗