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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 145 records · Page 8

Design of a Single Layer Metamaterial for Pressure Offloading of Transtibial Amputees

While using a prosthesis, transtibial amputees may experience pain and discomfort brought on by large pressure gradients at the interface between the residual limb and prosthetic socket. Current prosthetic interface solutions attempt to alleviate these pressure gradients by using soft homogenous liners to reduce and distribute pressures. This research investigates an additively manufactured metamaterial inlay with a tailored mechanical response to reduce peak pressure gradients around the limb. The inlay uses a hyperelastic behaving metamaterial (US10244818) comprised of triangular pattern unit cells which can be 3D printed with walls of various thicknesses controlled by draft angles. The hyperelastic material properties are modeled using a Yeoh 3rd order model. The 3rd order coefficients can be adjusted and optimized, which corresponds to a change in the unit cell wall thickness to create an inlay that can meet the unique offloading needs of an amputee. Finite element analysis simulations evaluated the pressure gradient reduction from: 1) a common homogenous silicone liner, 2) a prosthetist's inlay prescription that utilizes three variations of the metamaterial, and 3) a metamaterial solution with optimized Yeoh 3rd order coefficients. When compared to a traditional homogenous silicone liner for two unique limb loading scenarios, the prosthetist prescribed inlay and the optimized material inlay can achieve equal or greater pressure gradient reduction capabilities. These results show the potential feasibility of implementing this metamaterial as a method of personalized medicine for transtibial amputees by creating a customizable interface solution to meet the unique performance needs of an individual patient.

60 APPLIED LIFE SCIENCES↗

Towards Batched Linear Solvers on Accelerated Hardware Platforms

As hardware evolves, an increasingly effective approach to develop energy efficient, high-performance solvers, is to design them to work on many small and independent problems. Indeed, many applications already need this functionality, especially for GPUs, which are known to be currently about four to five times more energy efficient than multicore CPUs for every floating-point operation. In this paper, we describe the development of the main one-sided factorizations: LU, QR, and Cholesky; that are needed for a set of small dense matrices to work in parallel. We refer to such algorithms as batched factorizations. Our approach is based on representing the algorithms as a sequence of batched BLAS routines for GPU-contained execution. Note that this is similar in functionality to the LAPACK and the hybrid MAGMA algorithms for large-matrix factorizations. But it is different from a straightforward approach, whereby each of GPU's symmetric multiprocessors factorizes a single problem at a time. We illustrate how our performance analysis together with the profiling and tracing tools guided the development of batched factorizations to achieve up to 2-fold speedup and 3-fold better energy efficiency compared to our highly optimized batched CPU implementations based on the MKL library on a two-sockets, Intel Sandy Bridge server. Compared to a batched LU factorization featured in the NVIDIA's CUBLAS library for GPUs, we achieves up to 2.5-fold speedup on the K40 GPU.

Haidar, Azzam↗

HDF5 As a Vehicle for in Transit Data Movement

For in transit processing, one of the fundamental challenges is the efficient movement of data from producers to consumers. Exploiting the flexibility offered by the SENSEI generic in situ framework, we have developed a number of different in transit data transport mechanisms. In this work, we focus on the transport mechanism that leverages the HDF5 parallel I/O library, and investigate the performance characteristics of this transport mechanism. For in transit use cases at scale on HPC platforms, one might expect that an in transit data transport mechanism that uses faster layers of the storage hierarchy, such as DRAM memory, would always outperform a transport that uses slower layers of the storage hierarchy, such as an NVRAM-based persistent storage presented as a distributed file system. However, our test results show that the performance of the transport using NVRAM is competitive with the transport that uses socket-based data movement across varying levels of producer and consumer concurrency.}, booktitle = {Proceedings of the Workshop on In Situ Infrastructures for Enabling Extreme-Scale Analysis and Visualization

Gu, Junmin↗

SpawnNet

SpawnNet provides a networking interface similar to Linux sockets that runs natively on High-performance network interfaces. It is intended to be used to bootstrap parallel jobs and communication libraries like MPI.

Source record↗

Visualization Software for VisIT Java Client

The VisIT Java Client (JVC) library is a lightweight thin client that is designed and written purely in the native language of Java (the Python & JavaScript versions of the library use the same concept) and communicates with any new unmodified standalone version of VisIT, a high performance computing parallel visualization toolkit, over traditional or web sockets and dynamically determines capabilities of the running VisIT instance whether local or remote.

Billings, JayJay↗

CSlib, a library to couple codes via Client/Server messaging

The CSlib is a small, portable library which enables two (or more) independent simulation codes to be coupled, by exchanging messages with each other. Both codes link to the library when they are built, and can them communicate with each other as they run. The messages contain data or instructions that the two codes send back-and-forth to each other. The messaging can take place via files, sockets, or MPI. The latter is a standard distributed-memory message-passing library.

Plimpton, Steve↗

TaskWorks v1.0

TaskWorks is a portable, high-level, task engine designed for HPC workloads. Applications can create tasks and define dependencies between them with the task engine. Once the task is defined and submitted to TaskWorks, the TaskWorks engine will execute it according to the specified dependencies, without additional input from the application. TaskWorks has an integrated event manager monitors files, sockets, timers, and MPI operations, and these events can be used as task dependencies. TaskWorks is compatible with MPI and is designed to work efficiently with HPC applications that perform.

Koziol, Quincey↗

pyvnc_client

A python VNC client written from scratch using python's socket library

Weber, Brian↗

LLUDA (Low-cost Logging for Ubiquitous Decarbonization and Analysis) [SWR-24-131]

This repository features an Arduino-based GPS logger, called LLUDA, which uses the Adafruit Ultimate GPS FeatherWing with the Adafruit Feather M0 Adalogger, designed to capture and log GPS data in CSV format onto an SD card (embedded inside the Feather M0 Adalogger). The FeatherWing is powered through the vehicle's auxiliary power (from cigarette lighter) socket via a micro USB cable. The data it collects can be used to analyze vehicle operations and support vehicle modeling applications, helping to assess the potential for electrification.

Fakhimi, Setayesh [National Renewable Energy Labor↗

M-node Polarization Control (MPC) v1.0

The M-node Polarization Control program interfaces with electronic polarization controllers and polarimeters to adjust and compensate for the polarization drift of light within optical fiber. The code implements a gradient ascent control loop to calibrate to a desired state of polarization. A key advantage of this program is that it provides a TCP socket interface that allows external clients to drive the calibration routines.

Kissel, Ezra↗

Napari-MCP

Napari-MCP connects the open source napari software to modern LLMs. It includes a socket server plugin for napari as well as the MCP tools.

Liu, Shusen [Lawrence Livermore National Laborator↗

Batched matrix computations on hardware accelerators based on GPUs

Scientific applications require solvers that work on many small size problems that are independent from each other. At the same time, the high-end hardware evolves rapidly and becomes ever more throughput-oriented and thus there is an increasing need for an effective approach to develop energy-efficient, high-performance codes for these small matrix problems that we call batched factorizations. The many applications that need this functionality could especially benefit from the use of GPUs, which currently are four to five times more energy efficient than multicore CPUs on important scientific workloads. This study, consequently, describes the development of the most common, one-sided factorizations, Cholesky, LU, and QR, for a set of small dense matrices. The algorithms we present together with their implementations are, by design, inherently parallel. In particular, our approach is based on representing the process as a sequence of batched BLAS routines that are executed entirely on a GPU. Importantly, this is unlike the LAPACK and the hybrid MAGMA factorization algorithms that work under drastically different assumptions of hardware design and efficiency of execution of the various computational kernels involved in the implementation. Thus, our approach is more efficient than what works for a combination of multicore CPUs and GPUs for the problems sizes of interest of the application use cases. The paradigm where upon a single chip (a GPU or a CPU) factorizes a single problem at a time is not at all efficient in our applications’ context. We illustrate all of these claims through a detailed performance analysis. With the help of profiling and tracing tools, we guide our development of batched factorizations to achieve up to two-fold speedup and three-fold better energy efficiency as compared against our highly optimized batched CPU implementations based on MKL library. Finally, the tested system featured two sockets of Intel Sandy Bridge CPUs and we compared with a batched LU factorizations featured in the CUBLAS library for GPUs, we achieve as high as 2.5× speedup on the NVIDIA K40 GPU.

97 MATHEMATICS AND COMPUTING↗

Web Extensible Display Manager

Jefferson Lab's Web Extensible Display Manager (WEDM) allows staff to access EDM control system screens from a web browser in remote offices and from mobile devices. Native browser technologies are leveraged to avoid installing and managing software on remote clients such as browser plugins, tunnel applications, or an EDM environment. Since standard network ports are used firewall exceptions are minimized. To avoid security concerns from remote users modifying a control system, WEDM exposes read-only access and basic web authentication can be used to further restrict access. Updates of monitored EPICS channels are delivered via a Web Socket using a web gateway. The software translates EDM description files (denoted with the edl suffix) to HTML with Scalable Vector Graphics (SVG) following the EDM's edl file vector drawing rules to create faithful screen renderings. The WEDM server parses edl files and creates the HTML equivalent in real-time allowing existing screens to work without modification. Alternatively, the familiar drag and drop EDM screen creation tool can be used to create optimized screens sized specifically for smart phones and then rendered by WEDM.

Slominski, Ryan↗

Deployment of ADTimePix3 areaDetector Driver at Neutron and X-ray User Facilities

TimePix3 is a 65k hybrid pixel readout chip with simultaneous Time-of-Arrival (ToA) and Time-over-Threshold (ToT) recording in each pixel*. The chip operates without a trigger signal with a sparse readout where only pixels containing events are read out. The flexible architecture allows 40 MHits/s/cm² readout throughput, using simultaneous readout and acquisition by sharing readout logic with transport logic of superpixel matrix formed using 2x4 structure. The chip ToA records 1.5625 ns time resolution. The X-ray and charged particle events are counted directly. However, indirect neutron counts use 6Li fission in a scintillator matrix, such as ZnS(Ag). The fission space-charge region is limited to 5-9 um. A photon from scintillator material excites a photocathode electron, which is further multiplied in dual-stack MCP. The neutron count event is a cluster of electron events at the chip. We report on the EPICS areaDetector** ADTimePix3 driver that controls Serval*** using json commands. The driver directs data to storage and to a real-time processing pipeline and configures the chip. The time-stamped data are stored in raw .tpx3 file format and passed through a socket where the clustering software identifies individual neutron events. The conventional 2D images are available as images for each exposure frame, and a preview is useful for sample alignment. The areaDetector driver allows integration of time-enhanced capabilities of this detector into SNS beamlines controls and unprecedented time resolution.

Gofron, Kaz↗

Django Remote Submission

The Django Remote Submission (DRS) is a Django (Django, n.d.) application to manage long running job submission, including starting the job, saving logs, and storing results. It is an independent project available as a standalone pypi package (PyPi, n.d.). It can be easily integrated in any Django project. The source code is freely available as a GitHub repository (django-remote-submission, n.d.). To run the jobs in background, DRS takes advantage of Celery (Celery, n.d.), a powerful asynchronous job queue used for running tasks in the background, and the Redis Server (Redis, n.d.), an in-memory data structure store. Celery uses brokers to pass messages between a Django Project and the Celery workers. Redis is the message broker of DRS. In addition DRS provides real time monitoring of the progress of Jobs and associated logs. Through the Django Channels project (Channels, n.d.), and the usage of Web Sockets, it is possible to asynchronously display the Job Status and the live Job output (standard output and standard error) on a web page.

97 MATHEMATICS AND COMPUTING↗

New Generator Technology

New generator technology project is driven by the need to be able to remotely deploy generator technology where it is needed, when it is needed. Both the military and aid programs that provide assistance after disasters could use the ability to deploy energy generation that fits the needs of the situation. Currently, pre-specified generators are deployed, sometime more than half way around the world to provide electricity. Through our Phase-I to Phase III DARPA grant, we will provide a mechanism where a 3d print station and raw materials could be shipped to a deployment site and remotely deployed personnel. These remote personnel can collaborate with engineers at a home location where 3d print plans can be optimized for the remote purpose. The plans can then be sent electronically to the remote location for printing, much like NASA sent the plans for a socket wrench to the International Space Station for printing in . If multiple generators need to be deployed at different remote locations, within miles of each other the printer rig can be moved to print the generators where they are needed. 3d printing is growing in the field of manufacturing. 3d printing has matured to the point where many types of materials are now available for many types of manufacturing. Both magnetic and electrically conductive material materials have recently been developed which can now lead to 3d printing of engines and generators. Our project will provide a successful printer rig that can be remotely deployed, to print a generator design in the field as well as provide a process for deploying the printed generator as well. This Systems Engineering Management Plan(SEMP) will provide the planning required for a Phase I DARPA grant that may also include goals for Phase II and Phase II grants. The SEMP provides a proposed project schedule, references, system engineering processes, specialty engineering system deployment and product support sections. Each section will state how our company will provide the necessary services to make this project succeed.

3D printing, manufacturing, generator technology, ↗

VersiCharge-SG - Smart Grid Capable Electric Vehicle Supply Equipment (EVSE) for Residential Applications

In his 2011 State of the Union address, President Obama called for one million electric vehicles on the road by 2015 [1]. With large-scale Electric Vehicle (EV) or Plug-in Electric Vehicle (PEV or EV for short) or Plug-in Hybrid Electric Vehicle (PHEV) penetration into the US market, there will be drastic reduction in fossil fuel consumption, thus significantly reducing our dependency on foreign oil [2-6]. There will also be significant reduction on Green House Gas (GHG) emissions and smog in the major US cities [3, 7, 8]. Similar studies have also been done other industrial counties [9]. For the fuel cost, with the home electricity rate around $0.13 per kWh, it would cost about $0.05 per mile for DC operation and $0.03 cents per mile for AC operation. But, assuming 25 miles per gallon for a typical vehicle and $4 per gallon, fossil fuel will cost $0.16 per mile [10]. The overall lifecycle cost of PEVs will be several folds lower than the existing fossil fueled vehicles. Despite the above advantages of the EVs, the current cost of EVSE is not affordable for the average consumer. Presently, the cost of installing state-of-the-art residential EVSE ranges from $1500 to $2500 [11]. Low priced EVSE technology, which is easy to install, and affordable to operate and maintain by an average consumer, is essential for the large-scale market penetration of EVs. In addition, the long-term success of this technology is contingent on the PEVs having minimal excessive load and shift impact on the grid, especially at peak times. In a report [2] published by the Pacific Northwest National Laboratory (PNNL), the exiting electric power generation infrastructure, if used at its full capacity 24 hours a day, would support up to 84% of the nation’s cars, pickup trucks and SUVs for an average daily drive of 33 miles. This mileage estimate is certainly much below what an average driver would drive his/her vehicle per day. Another report [3] by the National Renewable Energy Laboratory (NREL) shows that an increased PEV penetration would significantly increase pressure on the peak generation, if no controlled charging strategy was put in place. Investigations from Oak Ridge National Laboratory (ORNL) show that in many regions, additional power generation facilities must be put in place and operate in evening times to recharge the EVs [12]. By all accounts, large PEV penetration will bring to the power grid enormous challenges due to the excessive and stochastic demand, and can entirely change the peak time distribution and behavior, perhaps, into a bi-modal distribution capable of exhausting primary, secondary and even reserves (spinning or non-spinning). To minimize the infrastructure upgrade costs and risks to the grid, and to ensure that power quality and reliability remain within the set standards, the demand for EV plug-ins must then be controlled and coordinated locally and at regional levels. Novel control techniques must be devised to allow for close collaboration between neighboring plug-in requestors, between neighboring communities, and between these and more central power authorities. The concept of electric drive vehicle is not new. The development of electric vehicle has been around since 19th century [13]. But due to a number of reasons and practical limitations at the time, including lower cost of gasoline compared to electricity, excessive refueling times, and abundance of gasoline, the automobile industry embraced gasoline-powered vehicles worldwide [13]. With the global warming, ever reducing reservoirs of fossil oil around the world and increasing political pressure to reduce the national dependency on foreign oil, the last decade of the 20th century witnessed major technological breakthroughs in Alternative Fueled Vehicle (AFV) technologies, including electric vehicles. With GHG emissions and carbon footprint in the minds of many more consumers and politicians, the first decade of the 21stCentury witnessed more breakthroughs with some real life experimentation and sporadic deployment of these technologies [14]. By many accounts, the second decade of the 21st Century is expected to be the time when mass volume production and popular usage of these AFV technologies, especially EV, will materialize. The current DOE request for proposals recognizes the need for major technological changes to ensure that the above national goal is realizable. Two major challenges have been identified: (1) major reduction in the cost of ownership of EVSEs, and (2) managing additional EV loads in the power grid while maintaining power quality, reliability, and affordability. We note that the two challenges are closely linked – A holistic approach to true lifecycle cost of EVSE ownership will certainly include any taxes and surcharges that can be put in place for major potential investments in the grid, and higher electricity charges in case of more frequent and longer peak periods. From a societal perspective, this cost could also include the lost GDP (computed on a local basis) and revenue for businesses at local and regional levels when the grid is no longer capable of meeting the demand and unexpected outages occur. A typical end-point electrical distribution system delivers power to a residential EVSE from the neighborhood distribution pole, as shown in Fig.1. This pole has a transformer (neighboring step-down transformer) that steps down the utility medium voltage to dual 120VAC single phase (also called 240VAC split phase). This voltage is fed through a meter into the residential load control center. The load control center consists of branch circuit breakers and distributes the power supply within various areas of the residential unit. One of the branch circuits from the load control center feeds EV charging station for the unit. An electric vehicle charger is plugged into the socket of the EV charging station and other end of this charger is connected to the vehicle during charging. Figure 1 illustrates a typical configuration of the power grid. The left side of the figure shows the power grid from the power generation to the neighboring step-down transformer, while the right side of the figure shows multiple EVs with the respective charging stations. The typical step-down transformer has an upper limit representing the maximum load that can be requested from these neighboring houses altogether (typically 24 kW). In case the total load increases beyond the supported limit, the protection system (e.g. a circuit breaker) attached to the step-down transformer gets activated automatically.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Polynuclear Aromatic Hydrocarbons with Curved Surfaces: Buckyballs

The discovery of a new allotropic form of elemental carbon – the fullerenes – and subsequently other novel forms of elemental carbon with pyramidalized surfaces, most notably single-walled and multi-walled carbon nanotubes, introduced a novel structural motif to the polycyclic aromatic hydrocarbons (PAHs) with nonplanar surfaces. Our research program supported by BES DOE grant DE-FG02-04ER15514 has dealt with the synthesis, structural studies, and chemistry of the novel curved-surface PAHs with carbon frameworks structurally related to fullerenes. They are referred to as “buckybowls”. We prepared several new buckybowls and, even more importantly, developed the efficient, gram-scale synthetic methodologies for the preparation of small buckybowls, most notably corannulene (C20H10) and its derivatives. In addition, the employment of the corannulene-based synthons previously developed in our laboratory led to a number of highly nonplanar molecular architectures with two or more corannulene subunits with a potential for the applications as novel materials in separation sciences, nanoelectronics, photovoltaics and catalysis. In collaboration with Professor Angelici (Iowa State) we prepared and characterized several transition metal complexes of corannulene, providing the first structural characterization of η6 metal complexes of buckybowls by a single crystal X-ray diffraction. In addition to the definitive structural characterization of the complexes we demonstrated that the (η6-C6Me6)Ru2+ unit in some relatively stable complexes activate the corannulene ligand to react with proper nucleophiles suggesting that such complexex may be used in catalysis. (Section C). We have explored the efficiency of the dispersion-based interactions of curved-surface conjugated carbon networks by high-level computational models. We showed that the curvature of such networks does not reduce the van der Waals attractions as compared to the planar systems of similar size. We than concentrated on the design, synthesis and testing of the previously unknown molecular receptors with corannulene pincers which are capable of forming the strong ball-and-socket inclusion complexes with fullerenes in solution and in the solid state. Buckycatcher I (a molecular receptor with two corannulene pincers preorganized on a tetrabensocyclooctatetraene tether) inclusion complexes with fullerenes provided the first experimental evidence for the importance of concave-convex π – π interactions in the supramolecular chemistry of fullerene carbon cages with buckybowls. C60@Buckycatcher I has become the prototypical supramolecular system formed by the relatively weak (on the atom-to-atom bases) and has been extensively used by the computational community to test the quality of the theoretical models. In addition, Buckycatcher I shows an exceptional ability to adopt other guest molecules and several its inclusion complexes and/or solvates have been structurally characterized. These unusual structures show the potential of the buckycatchers to be tested as novel organic materials. “Intelligent design” of molecular receptors with corannulene receptors using computational approach allowing for a priori prediction of their binding potentials led to the preparation of other buckycatchers. Both bi- and tridentate corannulene pincers were tested and two of the bidentate receptors (Buckycatchers II and III) exhibited the outstanding affinity toward fullerenes, significantly exciding Buckycatcher I performance. Careful tailoring of the tethers resulted in the optimization of binding energies of the receptors with guest carbon cages and in the reduction of the entropy/solvation penalties. Practical preparation of dicorannulenopentacene opens a new avenue for the synthesis of a pool of bis-corannulene receptors possessing polar groups on their dibenzobarrelene tether. The polar “anchors” can be used to attach these efficient fullerene receptors to solid supports in order to modify their surfaces with the potential applications in separation sciences, catalysis and photovoltaic materials. additionally, the presence of such groups will improve the solubility of the receptors in polar solvents, expanding the scope of their supramolecular chemistry in solutions. Rigorous studies of thermodynamics of host-guest association of molecular clips and tweezers in organic solvents with C60/C70 inclusion complexes with Buckycatcher I as a model system have provided a full set of thermodynamical data including ΔG, ΔH, and –TΔS, for the formation of the inclusion complexes over a range of temperatures and in several solvents. Both 1H NMR and Isothermal Calorimetry (ITC) titrations provide virtually identical association constants, confirming the reliability of the results. WE have shown that thermodynamics of the host-guest complex formation is more complicated than anticipated and proposed by the existing computational models. These data are of premium importance for the testing of the computational solvation models and for a deeper understanding of the supramolecular interactions in organic solvents.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗