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At least 793 records · Page 44

Netostat: analyzing dynamic flow patterns in high-speed networks

Understanding flow traffic patterns in networks, such as the Internet or service provider networks, is crucial to improving their design and building them robustly. However, as networks grow and become more complex, it is increasingly cumbersome and challenging to study how the many flow patterns, sizes and the continually changing source-destination pairs in the network evolve with time. Here, we present Netostat, a visualization-based network analysis tool that uses visual representation and a mathematics framework to study and capture flow patterns, using graph theoretical methods such as clustering, similarity and difference measures. Netostat generates an interactive graph of all traffic patterns in the network, to isolate key elements that can provide insights for traffic engineering. We present results for U.S. and European research networks, ESnet and GEANT, demonstrating network state changes, to identify major flow trends, potential points of failure, and bottlenecks.

97 MATHEMATICS AND COMPUTING↗

The Development of the Acoustic Design of NASA Glenn Research Center's New Reverberant Acoustic Test Facility

The National Aeronautics and Space Administration (NASA) Glenn Research Center (GRC) is leading the design and build of the new world-class vibroacoustic test capabilities at the NASA GRC s Plum Brook Station in Sandusky, Ohio. Benham Companies, LLC is currently constructing modal, base-shake sine and reverberant acoustic test facilities to support the future testing needs of NASA s space exploration program. The large Reverberant Acoustic Test Facility (RATF) will be approximately 101,000 ft3 in volume and capable of achieving an empty chamber acoustic overall sound pressure level (OASPL) of 163 dB. This combination of size and acoustic power is unprecedented amongst the world s known active reverberant acoustic test facilities. The key to achieving the expected acoustic test spectra for a range of many NASA space flight environments in the RATF is the knowledge gained from a series of ground acoustic tests. Data was obtained from several NASA-sponsored test programs, including testing performed at the National Research Council of Canada s acoustic test facility in Ottawa, Ontario, Canada, and at the Redstone Technical Test Center acoustic test facility in Huntsville, Alabama. The majority of these tests were performed to characterize the acoustic performance of the modulators (noise generators) and representative horns that would be required to meet the desired spectra, as well as to evaluate possible supplemental gas jet noise sources. The knowledge obtained in each of these test programs enabled the design of the RATF sound generation system to confidently advance to its final acoustic design and subsequent on-going construction.

Hughes, William O.↗

The Testing Behind the Test Facility: the Acoustic Design of the NASA Glenn Research Center's World-Class Reverberant Acoustic Test Facility

The National Aeronautics and Space Administration (NASA) Glenn Research Center (GRC) is leading the design and build of the new world-class vibroacoustic test capabilities at the NASA GRC s Plum Brook Station in Sandusky, Ohio, U.S.A. Benham Companies, LLC is currently constructing modal, base-shake sine and reverberant acoustic test facilities to support the future testing needs of NASA s space exploration program. The large Reverberant Acoustic Test Facility (RATF) will be approximately 101,000 ft3 in volume and capable of achieving an empty chamber acoustic overall sound pressure level (OASPL) of 163 dB. This combination of size and acoustic power is unprecedented amongst the world s known active reverberant acoustic test facilities. The key to achieving the expected acoustic test spectra for a range of many NASA space flight environments in the RATF is the knowledge gained from a series of ground acoustic tests. Data was obtained from several NASA-sponsored test programs, including testing performed at the National Research Council of Canada s acoustic test facility in Ottawa, Ontario, Canada, and at the Redstone Technical Test Center acoustic test facility in Huntsville, Alabama, U.S.A. The majority of these tests were performed to characterize the acoustic performance of the modulators (noise generators) and representative horns that would be required to meet the desired spectra, as well as to evaluate possible supplemental gas jet noise sources. The knowledge obtained in each of these test programs enabled the design of the RATF sound generation system to confidently advance to its final acoustic design and subsequent ongoing construction.

Hughes, William O.↗

The Development of the Acoustic Design of NASA Glenn Research Center's New Reverberant Acoustic Test Facility

The National Aeronautics and Space Administration (NASA) Glenn Research Center (GRC) is leading the design and build of the new world-class vibroacoustic test capabilities at the NASA GRC's Plum Brook Station in Sandusky, Ohio, USA. Benham Companies, LLC is currently constructing modal, base-shake sine and reverberant acoustic test facilities to support the future testing needs of NASA s space exploration program. The large Reverberant Acoustic Test Facility (RATF) will be approximately 101,000 ft3 in volume and capable of achieving an empty chamber acoustic overall sound pressure level (OASPL) of 163 dB. This combination of size and acoustic power is unprecedented amongst the world s known active reverberant acoustic test facilities. The key to achieving the expected acoustic test spectra for a range of many NASA space flight environments in the RATF is the knowledge gained from a series of ground acoustic tests. Data was obtained from several NASA-sponsored test programs, including testing performed at the National Research Council of Canada s acoustic test facility in Ottawa, Ontario, Canada, and at the Redstone Technical Test Center acoustic test facility in Huntsville, Alabama, USA. The majority of these tests were performed to characterize the acoustic performance of the modulators (noise generators) and representative horns that would be required to meet the desired spectra, as well as to evaluate possible supplemental gas jet noise sources. The knowledge obtained in each of these test programs enabled the design of the RATF sound generation system to confidently advance to its final acoustic design and subsequent on-going construction.

Hughes, William O.↗

The Testing Behind The Test Facility: The Acoustic Design of the NASA Glenn Research Center's World-Class Reverberant Acoustic Test Facility

The National Aeronautics and Space Administration (NASA) Glenn Research Center (GRC) is leading the design and build of the new world-class vibroacoustic test capabilities at the NASA GRC?s Plum Brook Station in Sandusky, Ohio, USA. Benham Companies, LLC is currently constructing modal, base-shake sine and reverberant acoustic test facilities to support the future testing needs of NASA?s space exploration program. T he large Reverberant Acoustic Test Facility (RATF) will be approximately 101,000 ft3 in volume and capable of achieving an empty chamber acoustic overall sound pressure level (OASPL) of 163 dB. This combination of size and acoustic power is unprecedented amongst the world?s known active reverberant acoustic test facilities. The key to achieving the expected acoustic test spectra for a range of many NASA space flight environments in the RATF is the knowledge gained from a series of ground acoustic tests. Data was obtained from several NASA-sponsored test programs, including testing performed at the National Research Council of Canada?s acoustic test facility in Ottawa, Ontario, Canada, and at the Redstone Technical Test Center acoustic test facility in Huntsville, Alabama, USA. The majority of these tests were performed to characterize the acoustic performance of the modulators (noise generators) and representative horns that would be required to meet the desired spectra, as well as to evaluate possible supplemental gas jet noise sources. The knowledge obtained in each of these test programs enabled the design of the RATF sound generation system to confidently advance to its final acoustic de-sign and subsequent on-going construction.

Hughes, William O.↗

The Testing Behind The Test Facility: The Acoustic Design of the NASA Glenn Research Center's World-Class Reverberant Acoustic Test Facility

The National Aeronautics and Space Administration (NASA) Glenn Research Center (GRC) is leading the design and build of the new world-class vibroacoustic test capabilities at the NASA GRC's Plum Brook Station in Sandusky, Ohio, USA. Benham Companies, LLC is currently constructing modal, base-shake sine and reverberant acoustic test facilities to support the future testing needs of NASA's space exploration program. The large Reverberant Acoustic Test Facility (RATF) will be approximately 101,000 cu ft in volume and capable of achieving an empty chamber acoustic overall sound pressure level (OASPL) of 163 dB. This combination of size and acoustic power is unprecedented amongst the world's known active reverberant acoustic test facilities. The key to achieving the expected acoustic test spectra for a range of many NASA space flight environments in the RATF is the knowledge gained from a series of ground acoustic tests. Data was obtained from several NASA-sponsored test programs, including testing performed at the National Research Council of Canada's acoustic test facility in Ottawa, Ontario, Canada, and at the Redstone Technical Test Center acoustic test facility in Huntsville, Alabama, USA. The majority of these tests were performed to characterize the acoustic performance of the modulators (noise generators) and representative horns that would be required to meet the desired spectra, as well as to evaluate possible supplemental gas jet noise sources. The knowledge obtained in each of these test programs enabled the design of the RATF sound generation system to confidently advance to its final acoustic design and subsequent on-going construction.

Hozman, Aron D.↗

Role of Process Control in Improving Space Vehicle Safety A Space Shuttle External Tank Example

Developing a safe and reliable space vehicle requires good design and good manufacturing, or in other words "design it right and build it right". A great design can be hard to build or manufacture mainly due to difficulties related to quality. Specifically, process control can be a challenge. As a result, the system suffers from low quality which leads to low reliability and high system risk. The Space Shuttle has experienced some of those cases, but has overcome these difficulties through extensive redesign efforts and process enhancements. One example is the design of the hot gas temperature sensor on the Space Shuttle Main Engine (SSME), which resulted in failure of the sensor in flight and led to a redesign of the sensor. The most recent example is the Space Shuttle External Tank (ET) Thermal Protection System (TPS) reliability issues that contributed to the Columbia accident. As a result, extensive redesign and process enhancement activities have been performed over the last two years to minimize the sensitivities and difficulties of the manual TPS application process.

Safie, Fayssal M.↗

Design of multi-scale protein complexes by hierarchical building block fusion

A systematic and robust approach to generating complex protein nanomaterials would have broad utility. We develop a hierarchical approach to designing multi-component protein assemblies from two classes of modular building blocks: designed helical repeat proteins (DHRs) and helical bundle oligomers (HBs). We first rigidly fuse DHRs to HBs to generate a large library of oligomeric building blocks. We then generate assemblies with cyclic, dihedral, and point group symmetries from these building blocks using architecture guided rigid helical fusion with new software named WORMS. X-ray crystallography and cryo-electron microscopy characterization show that the hierarchical design approach can accurately generate a wide range of assemblies, including a 43 nm diameter icosahedral nanocage. The computational methods and building block sets described here provide a very general route to de novo designed protein nanomaterials.

59 BASIC BIOLOGICAL SCIENCES↗

chatHPC: Empowering HPC users with large language models

The ever-growing number of pre-trained large language models (LLMs) across scientific domains presents a challenge for application developers. While these models offer vast potential, fine-tuning them with custom data, aligning them for specific tasks, and evaluating their performance remain crucial steps for effective utilization. However, applying these techniques to models with tens of billions of parameters can take days or even weeks on modern workstations, making the cumulative cost of model comparison and evaluation a significant barrier to LLM-based application development. To address this challenge, we introduce an end-to-end pipeline specifically designed for building conversational and programmable AI agents on high performance computing (HPC) platforms. Our comprehensive pipeline encompasses: model pre-training, fine-tuning, web and API service deployment, along with crucial evaluations for lexical coherence, semantic accuracy, hallucination detection, and privacy considerations. Here, we demonstrate our pipeline through the development of chatHPC, a chatbot for HPC question answering and script generation. Leveraging our scalable pipeline, we achieve end-to-end LLM alignment in under an hour on the Frontier supercomputer. We propose a novel self-improved, self-instruction method for instruction set generation, investigate scaling and fine-tuning strategies, and conduct a systematic evaluation of model performance. The established practices within chatHPC will serve as a valuable guidance for future LLM-based application development on HPC platforms.

97 MATHEMATICS AND COMPUTING↗

Energy-efficient building technologies

Buildings consume one-third of the total final energy produced on the globe and are responsible for almost 40 percent of total carbon dioxide generation annually. The latest carbon dioxide burden of buildings approached 10 Gigatons in the year 2019. Energy-efficient building technologies are necessary to address the climate change induced by greenhouse gases and fulfill the growth in demand and continuously depleting energy reserves. To meet the net-zero carbon footprint goals, sustainable, renewable energy resources, efficient building technologies, and demand management strategies are needed. Achieving zero emissions will require buildings to be equipped with energy-efficient technologies while completely avoiding on-site fossil fuel consumption and being only powered by renewable energy. In this context, this chapter provides an overview of various building technologies, including envelopes, materials, equipment, appliances, and integration concepts, which will play a significant role in lowering the overall energy consumption in both existing building stock and new buildings. Specifically, the following areas are discussed in detail: emerging building envelope designs, thermal comfort and refrigeration equipment, bridging technologies for improved energy efficiency in the ongoing energy transition, hybrid renewable (photovoltaic) configurations, energy storage technologies, miscellaneous appliances, refrigerants, and renewable fuels. The influence of key design and operating characteristics on annual carbon footprint is presented.

Cheekatamarla, Praveen↗

Designing reinforcement learning algorithms for building HVAC control: From experimental observation to simulation comparisons

Advanced supervisory-level control with reinforcement learning (RL) is regarded as a promising solution for HVAC systems to minimize energy consumption while maintaining thermal comfort and indoor air quality. However, most RL applications were conducted in the simulation environment rather than real-world HVAC systems. This paper developed a value-based RL controller termed Deep Q-Network (DQN) for a typical central HVAC system and evaluated its performance in a building test facility. By comparing DQN with a rule-based controller, the study not only demonstrated the cases where DQN could properly maintain indoor comfort but also discussed possible reasons why DQN failed in some other situations. Recognizing the limitations of value-based RL algorithms from the experimental tests, a simulation study was conducted to compare DQN with an alternative RL approach, an actor–critic algorithm termed Deep Deterministic Policy Gradient (DDPG). In scenarios with a relatively large action space, DDPG outperformed DQN by requiring fewer computational resources and achieving better thermal comfort, lower energy consumption, and more stable control actions. The findings suggest that the ability of DDPG to handle continuous control variables more effectively allows for faster convergence in training and more precise control in practice, which enhances the overall efficiency and reliability of the HVAC system.

Guo, Fangzhou↗

The bright frontiers of microbial metabolic optogenetics

In recent years, light-responsive systems from the field of optogenetics have been applied to several areas of metabolic engineering with remarkable success. By taking advantage of light's high tunability, reversibility, and orthogonality to host endogenous processes, optogenetic systems have enabled unprecedented dynamical controls of microbial fermentations for chemical production, metabolic flux analysis, and population compositions in co-cultures. In this article, we share our opinions on the current state of this new field of metabolic optogenetics. Furthermore, we make the case that it will continue to impact metabolic engineering in increasingly new directions, with the potential to challenge existing paradigms for metabolic pathway and strain optimization as well as bioreactor operation.

59 BASIC BIOLOGICAL SCIENCES↗

CHARMM-GUI Free Energy Calculator for Absolute and Relative Ligand Solvation and Binding Free Energy Simulations

Alchemical free energy simulations have long been utilized to predict free energy changes for binding affinity and solubility of small molecules. However, while the theoretical foundation of these methods is well established, seamlessly handling many of the practical aspects regarding the preparation of the different thermodynamic end states of complex molecular systems and the numerous processing scripts often remains a burden for successful applications. Here, we present CHARMM-GUI Free Energy Calculator (http://www.charmm-gui.org/input/fec) that provides various alchemical free energy perturbation molecular dynamics (FEP/MD) systems with input and post-processing scripts for NAMD and GENESIS. Four submodules are available: Absolute Ligand Binder (for absolute ligand binding FEP/MD), Relative Ligand Binder (for relative ligand binding FEP/MD), Absolute Ligand Solvator (for absolute ligand solvation FEP/MD), and Relative Ligand Solvator (for relative ligand solvation FEP/MD). Each module is designed to build multiple systems of a set of selected ligands at once for high-throughput FEP/MD simulations. The capability of Free Energy Calculator is illustrated by absolute and relative solvation FEP/MD of a set of ligands and absolute and relative binding FEP/MD of a set of ligands for T4-lysozyme in solution and the adenosine A 2A receptor in a membrane. The calculated free energy values are overall consistent with the experimental and published free energy results (within ~1 kcal/mol). We hope that Free Energy Calculator is useful to carry out high-throughput FEP/MD simulations in the field of biomolecular sciences and drug discovery.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Localizing Low-Grade Heat Using Hybrid Photonic-Phononic Materials

Creating next-generation devices capable of transducing waste heat into useful work will require building blocks designed to direct low-grade thermal energy at length scales well below the diffraction limit. Characterizing thermally induced energy transfer at the nanoscale, however, is a formidable task due to the simultaneous demand of high spatial and spectral resolution at infrared energies. Leveraging recent advancements in electron energy loss (EEL) and gain (EEG) spectroscopy, we reveal that individual nanostructures can concentrate energy by the resonant thermal excitation of their photonic Fabry–Pérot modes. Specifically, we show that the spatially localized gain signal increases upon in situ heating. Finally, theoretical modeling elucidates the mechanism for these observations by showing that a Purcell enhancement in the local photonic density of states drives the increased rate of infrared energy transfer from the ambient environment to each nanostructure.

36 MATERIALS SCIENCE↗

Transforming energy using quantum dots

Transforming and directing the flow of energy from one form (e.g., sunlight, electricity, etc.) to other useful forms of energy (e.g., electricity, chemical bonds, light, etc.) in an efficient and controllable manner is critical to meet the increasing energy demands and build a sustainable society. In search of such energy mediators, colloidal semiconductor nanocrystals, or quantum dots (QDs) are promising building blocks for building and designing systems that can efficiently capture light and convert and direct that energy into other useful forms of energy. In this work, we summarize recent advances using QDs in energy conversion architectures with the express goal of converting optical energy to other forms of energy, including electricity (i.e., photovoltaics) , photons with different energies (i.e., photo up- or downconversion), and chemical bonds (i.e., photocatalysis). The advantages of employing QDs over molecular chromophores in absorbing and then directing and converting optical energy are highlighted. Finally, we discuss ongoing challenges as well as unique opportunities associated with the use of QDs for transforming energy.

30 DIRECT ENERGY CONVERSION↗