Novel Boron Nitride MXenes as Promising Energy Storage Materials
Data accompanying the Nanoscale journal article titled: Novel Boron Nitride MXenes as Promising Energy Storage Materials
Muraleedharan, Murali Gopal↗
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ARCHIE: Data Analysis Acceleration with Array Caching in Hierarchical Storage
© 2018 IEEE. Scientific data analysis typically involves reading massive amounts of data that was generated by simulations, experiments, and observations. Performance of reading such large volumes of data from disk-based file systems is often poor because of the slow and mechanical components in the disks. Recent supercomputing systems are adding non-volatile storage layers in a hierarchy to handle the performance gap between fast main memory and slow disk-based storage. Software libraries for managing this hierarchy not only need efficient reading of data but also reduce user-involvement for cross-layer data movement. Furthermore, these libraries need to support array data access patterns into hierarchical storage management as scientific data is often organized in array-based data structures. Existing software typically manage individual storage layers requiring significant manual process in moving data among them. In this paper, we introduce a new array caching in hierarchical storage (ARCHIE) to accelerate array data analysis in a seamless fashion. ARCHIE evaluates array access patterns and prefetches data with array semantics between storage layers. Our evaluation shows that ARCHIE outperforms state-of-the-art file systems, i.e., Lustre and DataWarp, on a production supercomputing system by up to 5.8× in accessing data by scientific analysis applications.
Dong, Bin↗
Striped tertiary storage arrays
Data stripping is a technique for increasing the throughput and reducing the response time of large access to a storage system. In striped magnetic or optical disk arrays, a single file is striped or interleaved across several disks; in a striped tape system, files are interleaved across tape cartridges. Because a striped file can be accessed by several disk drives or tape recorders in parallel, the sustained bandwidth to the file is greater than in non-striped systems, where access to the file are restricted to a single device. It is argued that applying striping to tertiary storage systems will provide needed performance and reliability benefits. The performance benefits of striping for applications using large tertiary storage systems is discussed. It will introduce commonly available tape drives and libraries, and discuss their performance limitations, especially focusing on the long latency of tape accesses. This section will also describe an event-driven tertiary storage array simulator that is being used to understand the best ways of configuring these storage arrays. The reliability problems of magnetic tape devices are discussed, and plans for modeling the overall reliability of striped tertiary storage arrays to identify the amount of error correction required are described. Finally, work being done by other members of the Sequoia group to address latency of accesses, optimizing tertiary storage arrays that perform mostly writes, and compression is discussed.
Drapeau, Ann L.↗
A comprehensive analysis of transient pressure and rate data from CO 2 storage projects in a depleted pinnacle reef oil field complex, Michigan, USA
Pressure and rate data are commonly recorded as part of a basic monitoring program in CCS projects. This paper discusses the application of multiple analytical techniques to interpret pressure and rate transient data from CO 2 injection and storage operations. The techniques of interest, i.e., injection-falloff analysis, injectivity/productivity index analysis and pressure pulse arrival time analysis, are commonly used in the oil and gas industry to assess reservoir properties, but not well known in the CCS literature (especially the last two). Injection-falloff analysis involves log-log pressure derivative plotting for the falloff data and history-matching of the entire injection-falloff sequence to determine permeability. In the injectivity/productivity index analysis, rate-normalized pressure buildup is plotted against material balance time or ratio of cumulative injection to injection rate to determine the injectivity index (ratio of injection rate to stabilized pressure buildup) which can be related to the permeability-thickness product. The arrival time analysis identifies the arrival of a pressure disturbance (~0.1 psi change from ambient) to determine the hydraulic diffusivity from which permeability can be estimated. The applicability of these techniques is demonstrated via illustrative examples from multiple wells in different pinnacle carbonate reefs undergoing CO 2 -EOR in Northern Michigan. The paper ends with a discussion of the relative merits of each interpretive technique, as well as recommendations that could be useful for other field projects.
42 ENGINEERING↗
Proactive Data Containers for Scientific Storage (Final Report)
Emerging HPC systems are expected to be deployed with an unprecedented level of complexity, due to a deep system memory/storage hierarchy and heterogeneity of the storage hardware. This hierarchy is expected to range from CPU cache through several levels of volatile memory to nonvolatile memory, traditional hard disks, and tape. Simple and efficient methods of data management and movement through this hierarchy is critical for scientific applications using exascale systems. Existing storage system and I/O (SSIO) technologies face severe challenges in dealing with these requirements. POSIX and MPI I/O standards that are the basis for existing I/O libraries and parallel file systems present fundamental challenges in the areas of scalable metadata operations, semantics-based data movement performance tuning, asynchronous operation, and support for scalable consistency of distributed operations. Moving toward new paradigms for SSIO in the extreme-scale era, we have proposed to investigate novel object-based data abstractions and storage mechanisms that take advantage of the deep storage hierarchy and enable proactive automated performance tuning. In order to achieve these overarching goals, we initiated an effort to develop a fundamental new data abstraction, called Proactive Data Containers (PDC). A PDC is a container within a locus of storage (memory, NVRAM, disk, etc.) that stores science data in an object-centric manner. Managing data as objects enables powerful optimization opportunities for data movement and transformations. The R&D focus of this project are: 1) formulation of object-oriented PDCs and their mapping in different levels of the exascale storage hierarchy; 2) efficient strategies for moving data in deep storage hierarchies using PDCs; 3) techniques for transforming and reorganizing data based on application requirements; and 4) novel analysis paradigms for enabling data transformations and user-defined analysis on data in PDCs. Toward achieving these overarching goals, we designed an object-centric application programing interface (API) for HPC, scalable metadata management for object-centric storage systems, and data movement optimizations such as Data Elevator for moving data between two levels of storage devices and TAPIOCA for efficient aggregation of data on compute nodes. We then implemented several components of the PDC system. They include metadata management, data placement services, remote procedure calls, data aggregation, etc. We have put them together into the overall PDC framework.
97 MATHEMATICS AND COMPUTING↗
Orchestration of materials science workflows for heterogeneous resources at large scale
In the era of big data, materials science workflows need to handle large-scale data distribution, storage, and computation. Any of these areas can become a performance bottleneck. We present a framework for analyzing internal material structures (e.g., cracks) to mitigate these bottlenecks. We demonstrate the effectiveness of our framework for a workflow performing synchrotron X-ray computed tomography reconstruction and segmentation of a silica-based structure. Our framework provides a cloud-based, cutting-edge solution to challenges such as growing intermediate and output data and heavy resource demands during image reconstruction and segmentation. Specifically, our framework efficiently manages data storage, scaling up compute resources on the cloud. The multi-layer software structure of our framework includes three layers. A top layer uses Jupyter notebooks and serves as the user interface. A middle layer uses Ansible for resource deployment and managing the execution environment. A low layer is dedicated to resource management and provides resource management and job scheduling on heterogeneous nodes (i.e., GPU and CPU). At the core of this layer, Kubernetes supports resource management, and Dask enables large-scale job scheduling for heterogeneous resources. The broader impact of our work is four-fold: through our framework, we hide the complexity of the cloud’s software stack to the user who otherwise is required to have expertise in cloud technologies; we manage job scheduling efficiently and in a scalable manner; we enable resource elasticity and workflow orchestration at a large scale; and we facilitate moving the study of nonporous structures, which has wide applications in engineering and scientific fields, to the cloud. While we demonstrate the capability of our framework for a specific materials science application, it can be adapted for other applications and domains because of its modular, multi-layer architecture.
97 MATHEMATICS AND COMPUTING↗
Visualization and Data Analysis at the Exascale
The scope of our working group is scientific visualization and data analysis. Scientific visualization refers to the process of transforming scientific simulation and experimental data into images to facilitate visual understanding. Data analysis refers to the process of transforming data into an information-rich form via mathematical or computational algorithms to promote better understanding. We share scope on data management with the Storage group. Data management refers to the process of tracking, organizing and enhancing the use of scientific data. The purpose of our work is to enable scientific discovery and understanding. Visualization and data analysis has a broad scope as an integral part of scientific simulations and experiments, it is also a distinct separate service for scientific discovery and documentation purposes. Our scope includes an exascale software and hardware infrastructure that effectively supports visualization and data analysis.
ALGORITHMS↗
The Materials Data Facility: Data Services to Advance Materials Science Research
With increasingly strict data management requirements from funding agencies and institutions, expanding focus on the challenges of research replicability, and growing data sizes and heterogeneity, new data needs are emerging in the materials community. The materials data facility (MDF) operates two cloudhosted services, data publication and data discovery, with features to promote open data sharing, self-service data publication and curation, and encourage data reuse, layered with powerful data discovery tools. The data publication service simplifies the process of copying data to a secure storage location, assigning data a citable persistent identifier, and recording custom (e.g., material, technique, or instrument specific)and automatically-extractedmetadata in a registrywhile the data discovery service will provide advanced search capabilities (e.g., faceting, free text range querying, and full text search) against the registered data and metadata. TheMDF services empower individual researchers, research projects, and institutions to (I) publish research datasets, regardless of size, from local storage, institutional data stores, or cloud storage, without involvement of thirdparty publishers; (II) build, share, and enforce extensible domain-specific custom metadata schemas; (III) interact with published data and metadata via representational state transfer (REST) application program interfaces (APIs) to facilitate automation, analysis, and feedback; and (IV) access a data discovery model that allows researchers to search, interrogate, and eventually build on existing published data. We describe MDF’s design, current status, and future plans.
data management↗
Active Flash: Out-of-core Data Analytics on Flash Storage
Next generation science will increasingly come to rely on the ability to perform efficient, on-the-fly analytics of data generated by high-performance computing (HPC) simulations, modeling complex physical phenomena. Scientific computing workflows are stymied by the traditional chaining of simulation and data analysis, creating multiple rounds of redundant reads and writes to the storage system, which grows in cost with the ever-increasing gap between compute and storage speeds in HPC clusters. Recent HPC acquisitions have introduced compute node-local flash storage as a means to alleviate this I/O bottleneck. We propose a novel approach, Active Flash, to expedite data analysis pipelines by migrating to the location of the data, the flash device itself. We argue that Active Flash has the potential to enable true out-of-core data analytics by freeing up both the compute core and the associated main memory. By performing analysis locally, dependence on limited bandwidth to a central storage system is reduced, while allowing this analysis to proceed in parallel with the main application. In addition, offloading work from the host to the more power-efficient controller reduces peak system power usage, which is already in the megawatt range and poses a major barrier to HPC system scalability. We propose an architecture for Active Flash, explore energy and performance trade-offs in moving computation from host to storage, demonstrate the ability of appropriate embedded controllers to perform data analysis and reduction tasks at speeds sufficient for this application, and present a simulation study of Active Flash scheduling policies. These results show the viability of the Active Flash model, and its capability to potentially have a transformative impact on scientific data analysis.
99 GENERAL AND MISCELLANEOUS↗
Prefix coding of histograms for minimal storage.
Prefix coding of histograms for minimal storage
HISTOGRAM↗
Towards a Global MAP Data Base
Scientific and ecological needs call for the generation of a global data base of measured data from the Earth's atmosphere, similar but complementary to the data of the meteorological service. Right now there is a large gap between these needs and the available financial means. If this prevails, it might be prohibitive for the generation of such a data base. There must be a compromise between the needs and the means. Priorities must be set. Thus, discussions should be started on which data can be or should be stored. Newly generated data for storage in such a data base is recommended to be handled by the World Data Centers (WDCs). This brief report should help to stimulate discussions and ubsequent actions.
Hartmann, G. K.↗
Comparison of several NASTRAN analytical techniques for large structures
In order to plan for the finite element structural analysis of future aircraft, five static analysis techniques using the MacNeal-Schwendler Corporation version of NASTRAN were evaluated. The structure was analyzed as: (1) a single model with a symmetric loading condition; (2) a single model with symmetric/nonsymmetric loading conditions; (3) three substructures in three phases using tape storage with a symmetric loading condition; (4) three superelements using data base storage with a symmetric loading condition; and (5) three superelements using data base storage with cyclic symmetry for symmetric/nonsymmetric loading conditions. The superelement techniques proved superior to the single model approaches by reducing computer time for redesign work by as much as 70 percent.
Zemer, D. T.↗
Improving the Quality of Geothermal Data Through Data Standards and Pipelines Within the Geothermal Data Repository: Preprint
For machine learning outputs to be applicable to real world problems, high quality data are needed to ensure high quality results. With the more recent emphasis on machine learning in geothermal, there is an increasing need for greater focus on the quality of the data available for use in these projects. For example, Geothermal Operational Optimization Using Machine Learning (GOOML) utilized large quantities of geothermal power plant operational data to inform power plant operational configurations to maximize power generation. High quality datasets result from dependable sensors or devices collecting data, high frequency of measurements, sufficient data points, adequate metadata, reliable storage of data, and sufficient data curation. Another component that contributes to high quality data is reusability, which can be enhanced through data standardization. Data Standardization creates consistency in formatting and contents of like datasets, lessening preprocessing requirements and ensuring adequate information provided by a given dataset. The Geothermal Data Repository (GDR) aims to help improve data quality through automated data standardization for high-value datasets through the implementation of data pipelines alongside reliable and accessible long-term storage for datasets. As such, the GDR has decided to shift away from recommending the use of Excel-based content models and towards the implementation of automated data pipelines. This takes the burden of data standardization off the user and project team and will increase the availability of standardized geothermal data available through the GDR. A set of recommendations, or a data standard for each data type will exist with each data pipeline in order to advise data collection for maximum usability for future research. This paper serves to describe the GDR's proposed transition towards data standardization through automated data pipelines, to discuss the need for and value of such a shift, and to call for suggestions from the community regarding the most useful data standards and pipelines.
data↗
Dynamo: Handling Scientific Data Across Sites and Storage Media
Abstract Dynamo is a full-stack software solution for scientific data management. Dynamo’s architecture is modular, extensible, and customizable, making the software suitable for managing data in a wide range of installation scales, from a few terabytes stored at a single location to hundreds of petabytes distributed across a worldwide computing grid. This article documents the core system design of Dynamo and describes the applications that implement various data management tasks. A brief report is also given on the operational experiences of the system at the CMS experiment at the CERN Large Hadron Collider and at a small-scale analysis facility.
Iiyama, Yutaro (ORCID:0000000282975930)↗
Science data processing
Processing and storage of space science data from Mariner IV space probe
SPACE SCIENCE↗
Simulation of mass storage systems operating in a large data processing facility
A mass storage simulation program was written to aid system designers in the design of a data processing facility. It acts as a tool for measuring the overall effect on the facility of on-line mass storage systems, and it provides the means of measuring and comparing the performance of competing mass storage systems. The performance of the simulation program is demonstrated.
Holmes, R.↗
Underground hydrogen storage leakage detection and characterization based on machine learning of sparse seismic data
Underground hydrogen storage (UHS) is considered as a scalable approach for massive storage and seasonal extraction of hydrogen (H 2 ). Although conventional leakage detection and characterization methods based on time-lapse seismic imaging and inversion generally apply to H 2 leakage detection problem, a high-fidelity yet cost effective geophysics approach is still missing to reliably inform leakage location and properties based on very sparse data. In response, we develop a novel supervised machine learning method to detect and characterize H 2 leakage from UHS. The input to our neural network are sparse time-lapse seismic waveforms, while the output from the neural network includes the spatial location and physical properties of a H 2 leakage. Here, we generate high-quality time-lapse waveforms using the elastic-wave equations to train the neural network. We train and validate our machine learning model and find that it attains high accuracy in using extremely sparse time-lapse seismic data to detect and characterize H 2 leakage. Our investigation is the first systematic study that focuses on applying machine learning to subsurface H 2 leakage detection and characterization and could potentially serve as a cost-effective geophysical tool for underground hydrogen leakage detection and characterization with high fidelity.
08 HYDROGEN↗
Grid Data Crossing Platform (GriD-Xing)
This project is to develop a data management and analytics platform called Grid Data Crossing (GriD-Xing) that integrates data processing, storage, analysis, and visualization functionalities for users at industry (e.g., EMS and DMS) and universities. It intends to increase the applicability of large set of multi-source data (e.g., SCADA, PMU, μPMU, AMI, inverter, load/DER forecasting, and cyber data) and eventually improve the resilience, reliability, and security of critical energy infrastructure. GriD-Xing also intends to be a research platform to identify the usefulness of large multi-source data via case studies of interest to industry (e.g., 2011 southwest cold weather and 2016 Blue Cut fire events). In the first year, the team focused on the development and demonstration of large multi-source data (e.g., PMU, μPMU, SCADA, AMI, and cyber data) processing, storage, and analysis. Specifically, the team designed GriD-Xing framework in functional and structural aspects, developed GriD-Xing algorithms for large multi-source grid data processing, storage, and analysis, and finally demonstrated GriD-Xing prototype algorithms performance through a series of tests and case studies using real-world and simulation data.
24 POWER TRANSMISSION AND DISTRIBUTION↗