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At least 1,207 records · Page 67

“Beam à la carte”: Laser heater shaping for attosecond pulses in a multiplexed x-ray free-electron laser

Electron beam shaping allows the control of the temporal properties of x-ray free-electron laser pulses from femtosecond to attosecond timescales. Here, we demonstrate the use of a laser heater to shape electron bunches and enable the generation of attosecond x-ray pulses. We demonstrate that this method can be applied in a selective way, shaping a targeted subset of bunches while leaving the remaining bunches unchanged. This experiment enables the delivery of shaped x-ray pulses to multiple undulator beamlines, with pulse properties tailored to specialized scientific applications.

43 PARTICLE ACCELERATORS↗

Support for the 2024 American Conference on Theoretical Chemistry (ACTC) (Final Report)

Funds are requested in support of the 2024 American Conference on Theoretical Chemistry. Funds are being requested from the Department of Energy in support of conference registration fees for graduate student and post-doctoral researcher registration fees. This conference will be held in North Carolina, and between 200 and 250 participants are expected. This is the major North American meeting of theoretical chemists, showcasing diverse developments in all aspects of modern theory, including methods development and applications. Applications span all aspects of chemistry, biochemistry, and materials science, including important applications to energy science. The conference will include four days of seminars and poster sessions. As well as serving as a meeting ground for sharing scientific developments and discoveries, the meeting also serves as a locus for mentoring and career development involving younger scientists. The meeting will be chaired by Prof. David Beratan of Duke University, and he will be assisted by other faculty from the region: Profs. Weitao Yang (Duke), Patrick Charbonneau (Duke), Yosuke Kanai (University of North Carolina - Chapel Hill), Zhiyue Lu (University of North Carolina - Chapel Hill), and Elena Jakubikova (North Carolina State University). This group will form a conference commitee that will define thematic topics for the conference, will invite speakers, and will assist with running the conference.

14 SOLAR ENERGY↗

A computer program for the calculation of laminar and turbulent boundary layer flows

The results are presented of a study to produce a computer program to calculate laminar and turbulent boundary layer flows. The program is capable of calculating the following types of flow: (1) incompressible or compressible, (2) two dimensional or axisymmetric, and (3) flows with significant transverse curvature. Also, the program can handle a large variety of boundary conditions, such as blowing or suction, arbitrary temperature distributions and arbitrary wall heat fluxes. The program has been specialized to the calculation of equilibrium air flows and all of the thermodynamic and transport properties used are for air. For the turbulent transport properties, the eddy viscosity approach has been used. Although the eddy viscosity models are semi-empirical, the model employed in the program has corrections for pressure gradients, suction and blowing and compressibility. The basic method of approach is to put the equations of motion into a finite difference form and then solve them by use of a digital computer. The program is written in FORTRAN 4 and requires small amounts of computer time on most scientific machines. For example, most laminar flows can be calculated in less than one minute of machine time, while turbulent flows usually require three or four minutes.

Dwyer, H. A.↗

Field refurbishment of recoverable sounding rocket payloads.

Sounding rocket payload field refurbishment has been shown to be an effective means for obtaining additional scientific data with substantial time and monetary savings. In a recent campaign three successful missions were flown using two payloads. Field refurbished hardware from two previously flown and recovered payloads were field integrated to form a third payload. Although this operational method may result in compromises in the refurbished system, it allows for quick turn around when the mission requires it. This paper describes the recent success of this approach with the Dudley Observatory Nike-Apache micrometeorite collection experiments launched from Kiruna, Sweden, in October 1972.

Needleman, H. C.↗

A core handling device for the Mars Sample Return Mission

A core handling device for use on Mars is being designed. To provide a context for the design study, it was assumed that a Mars Rover/Sample Return (MRSR) Mission would have the following characteristics: a year or more in length; visits by the rover to 50 or more sites; 100 or more meter-long cores being drilled by the rover; and the capability of returning about 5 kg of Mars regolith to Earth. These characteristics lead to the belief that in order to bring back a variegated set of samples that can address the range of scientific objetives for a MRSR mission to Mars there needs to be considerable analysis done on board the rover. Furthermore, the discrepancy between the amount of sample gathered and the amount to be returned suggests that there needs to be some method of choosing the optimal set of samples. This type of analysis will require pristine material-unaltered by the drilling process. Since the core drill thermally and mechanically alters the outer diameter (about 10 pct) of the core sample, this outer area cannot be used. The primary function of the core handling device is to extract subsamples from the core and to position these subsamples, and the core itself if needed, with respect to the various analytical instruments that can be used to perform these analyses.

Gwynne, Owen↗

Oxygen production using solid-state zirconia electrolyte technology

High purity oxygen is required for a number of scientific, medical, and industrial applications. Traditionally, these needs have been met by cryogenic distillation or pressure swing adsorption systems designed to separate oxygen from air. Oxygen separation from air via solid-state zirconia electrolyte technology offers an alternative to these methods. The technology has several advantages over the traditional methods, including reliability, compactness, quiet operation, high purity output, and low power consumption.

Suitor, Jerry W.↗

Science information systems: Visualization

Future programs in earth science, planetary science, and astrophysics will involve complex instruments that produce data at unprecedented rates and volumes. Current methods for data display, exploration, and discovery are inadequate. Visualization technology offers a means for the user to comprehend, explore, and examine complex data sets. The goal of this program is to increase the effectiveness and efficiency of scientists in extracting scientific information from large volumes of instrument data.

Wall, Ray J.↗

Modeling the Earth system in the Mission to Planet Earth era

A broad overview is made of global earth system modeling in the Mission to Planet Earth (MTPE) era for the multidisciplinary audience encompassed by the Global Change Research Program (GCRP). Time scales of global system fluctuation and change are described in Section 2. Section 3 provides a rubric for modeling the global earth system, as presently understood. The ability of models to predict the future state of the global earth system and the extent to which their predictions are reliable are covered in Sections 4 and 5. The 'engineering' use of global system models (and predictions) is covered in Section 6. Section 7 covers aspects of an increasing need for improved transform algorithms and better methods to assimilate this information into global models. Future monitoring and data requirements are detailed in Section 8. Section 9 covers the NASA-initiated concept 'Mission to Planet Earth,' which employs space and ground based measurement systems to provide the scientific basis for understanding global change. Section 10 concludes this review with general remarks concerning the state of global system modeling and observing technology and the need for future research.

Unninayar, Sushel↗

Visualization Techniques in Space and Atmospheric Sciences

Unprecedented volumes of data will be generated by research programs that investigate the Earth as a system and the origin of the universe, which will in turn require analysis and interpretation that will lead to meaningful scientific insight. Providing a widely distributed research community with the ability to access, manipulate, analyze, and visualize these complex, multidimensional data sets depends on a wide range of computer science and technology topics. Data storage and compression, data base management, computational methods and algorithms, artificial intelligence, telecommunications, and high-resolution display are just a few of the topics addressed. A unifying theme throughout the papers with regards to advanced data handling and visualization is the need for interactivity, speed, user-friendliness, and extensibility.

Szuszczewicz, E. P.↗

Addition of a low altitude Tethys flyby to the nominal Cassini tour

Of the eight Saturnian icy satellites. all but Mimas and Tethys had low altitude targeted flybys during the 4-year primary Cassini spacecraft tour. In November 2004, the existence of a potential low-altitude Tethys flyby was discovered; this low-altitude flyby, added to the nominal tour in March 2005, corresponded to a 1500 km non-targeted periapsis altitude on September 24, 2005 with an associated (delta)v cost of approximately 8 mis. This memo details the methods used to determine the Rev-15 non-targeted Tethys flyby altitude, driven by navigational requirements and operational constraints, in addition to several trajectory modifications implemented to reduce total (delta)v costs, and in some cases. render simultaneous increases in scientific return.

Cassini↗

Protein Innovations Advance Drug Treatments, Skin Care

Dan Carter carefully layered the sheets of tracing paper on the light box. On each sheet were renderings of the atomic components of an essential human protein, one whose structure had long been a mystery. With each layer Carter laid down, a never-before-seen image became clearer. Carter joined NASA s Marshall Space Flight Center in 1985 and began exploring processes of protein crystal growth in space. By bouncing intense X-rays off the crystals, researchers can determine the electron densities around the thousands of atoms forming the protein molecules, unveiling their atomic structures. Cultivating crystals of sufficient quality on Earth was problematic; the microgravity conditions of space were far more accommodating. At the time, only a few hundred protein structures had been mapped, and the methods were time consuming and tedious. Carter hoped his work would help reveal the structure of human serum albumin, a major protein in the human circulatory system responsible for ferrying numerous small molecules in the blood. More was at stake than scientific curiosity. Albumin has a high affinity for most of the world s pharmaceuticals, Carter explains, and its interaction with drugs can change their safety and efficacy. When a medication enters the bloodstream a cancer chemotherapy drug, for example a majority of it can bind with albumin, leaving only a small percentage active for treatment. How a drug interacts with albumin can influence considerations like the necessary effective dosage, playing a significant role in the design and application of therapeutic measures. In spite of numerous difficulties, including having no access to microgravity following the 1986 Space Shuttle Challenger disaster, the image Carter had hoped to see was finally clarifying. In 1988, his lab had acquired specialized X-ray and detection equipment a tipping point. Carter and his colleagues began to piece together albumin s portrait, the formation of its electron densities coalescing on the sheets of tracing paper he arranged on the light box. While space-grown crystals were ultimately not involved in the achievement, a year later, Carter says, we were on the cover of Science magazine, having determined the atomic structure of albumin.

Source record↗

Snowmass2021 Computational Frontier White Paper: Cosmological Simulations and Modeling

Powerful new observational facilities will come online over the next decade, enabling a number of discovery opportunities in the "Cosmic Frontier", which targets understanding of the physics of the early universe, dark matter and dark energy, and cosmological probes of fundamental physics, such as neutrino masses and modifications of Einstein gravity. Synergies between different experiments will be leveraged to present new classes of cosmic probes as well as to minimize systematic biases present in individual surveys. Success of this observational program requires actively pairing it with a well-matched state-of-the-art simulation and modeling effort. Next-generation cosmological modeling will increasingly focus on physically rich simulations able to model outputs of sky surveys spanning multiple wavebands. These simulations will have unprecedented resolution, volume coverage, and must deliver guaranteed high-fidelity results for individual surveys as well as for the cross-correlations across different surveys. The needed advances are as follows: (1) Development of scientifically rich and broadly-scoped simulations, which capture the relevant physics and correlations between probes (2) Accurate translation of simulation results into realistic image or spectral data to be directly compared with observations (3) Improved emulators and/or data-driven methods serving as surrogates for expensive simulations, constructed from a finite set of full-physics simulations (4) Detailed and transparent verification and validation programs for both simulations and analysis tools. (Abridged)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Transforming U.S. Particle Physics Education: A Snowmass 2021 Study

The pursuit of knowledge in particle physics requires constant learning. As new tools become available, new theories are developed, and physicists search for new answers with ever-evolving methods. However, it is the case that formal educational systems serve as the primary training grounds for particle physicists. Graduate school (and undergraduate school to a lesser extent) is where researchers learn most of the technical skills required for research, develop scientific problem-solving abilities, learn how to establish themselves in their field, and begin developing their career. It is unfortunate, then, that the skills gained by physicists during their formal education are often mismatched with the skills actually required for a successful career in physics. We performed a survey of the U.S. particle physics community to determine the missing elements of graduate and undergraduate education and to gauge how to bridge these gaps. In this contributed paper, part of the 2021-22 Snowmass Community Planning Exercise, we report the results of this survey. We also recommend several specific community actions to improve the quality of particle physics education; the "community" here refers to physics departments, national labs, professional societies, funding agencies, and individual physicists.

Bitter, O.↗

Exploring Classification of Topological Priors With Machine Learning for Feature Extraction

In many scientific endeavors, increasingly abstract representations of data allow for new interpretive methodologies and conceptualization of phenomena. For example, moving from raw imaged pixels to segmented and reconstructed objects allows researchers new insights and means to direct their studies toward relevant areas. Thus, the development of new and improved methods for segmentation remains an active area of research. With advances in machine learning and neural networks, scientists have been focused on employing deep neural networks such as U-Net to obtain pixel-level segmentations, namely, defining associations between pixels and corresponding/referent objects and gathering those objects afterward. Topological analysis, such as the use of the Morse-Smale complex to encode regions of uniform gradient flow behavior, offers an alternative approach: first, create geometric priors, and then apply machine learning to classify. This approach is empirically motivated since phenomena of interest often appear as subsets of topological priors in many applications. Using topological elements not only reduces the learning space but also introduces the ability to use learnable geometries and connectivity to aid the classification of the segmentation target. Here, in this article, we describe an approach to creating learnable topological elements, explore the application of ML techniques to classification tasks in a number of areas, and demonstrate this approach as a viable alternative to pixel-level classification, with similar accuracy, improved execution time, and requiring marginal training data.

97 MATHEMATICS AND COMPUTING↗

NASA/NOAA: Earth Science Electronic Theater 1999. Earth Science Observations, Analysis and Visualization: Roots in the 60s - Vision for the Next Millennium

The Etheater presents visualizations which span the period from the original Suomi/Hasler animations of the first ATS-1 GEO weather satellite images in 1966, to the latest 1999 NASA Earth Science Vision for the next 25 years. Hot off the SGI-Onyx Graphics-Supercomputer are NASA''s visualizations of Hurricanes Mitch, Georges, Fran and Linda. These storms have been recently featured on the covers of National Geographic, Time, Newsweek and Popular Science. Highlights will be shown from the NASA hurricane visualization resource video tape that has been used repeatedly this season on National and International network TV. Results will be presented from a new paper on automatic wind measurements in Hurricane Luis from 1-min GOES images that appeared in the November BAMS. The visualizations are produced by the NASA Goddard Visualization & Analysis Laboratory, and Scientific Visualization Studio, as well as other Goddard and NASA groups using NASA, NOAA, ESA, and NASDA Earth science datasets. Visualizations will be shown from the Earth Science ETheater 1999 recently presented in Tokyo, Paris, Munich, Sydney, Melbourne, Honolulu, Washington, New York, and Dallas. The presentation Jan 11-14 at the AMS meeting in Dallas used a 4-CPU SGI/CRAY Onyx Infinite Reality Super Graphics Workstation with 8 GB RAM and a Terabyte Disk at 3840 X 1024 resolution with triple synchronized BarcoReality 9200 projectors on a 60ft wide screen. Visualizations will also be featured from the new Earth Today Exhibit which was opened by Vice President Gore on July 2, 1998 at the Smithsonian Air & Space Museum in Washington, as well as those presented for possible use at the American Museum of Natural History (NYC), Disney EPCOT, and other venues. New methods are demonstrated for visualizing, interpreting, comparing, organizing and analyzing immense HyperImage remote sensing datasets and three dimensional numerical model results. We call the data from many new Earth sensing satellites, HyperImage datasets, because they have such high resolution in the spectral, temporal, spatial, and dynamic range domains. The traditional numerical spreadsheet paradigm has been extended to develop a scientific visualization approach for processing HyperImage datasets and 3D model results interactively. The advantages of extending the powerful spreadsheet style of computation to multiple sets of images and organizing image processing were demonstrated using the Distributed Image SpreadSheet (DISS). The DISS is being used as a high performance testbed Next Generation Internet (NGI) VisAnalysis of: 1) El Nino SSTs and NDVI response 2) Latest GOES 10 5-min rapid Scans of 26 day 5000 frame movie of March & April 198 weather and tornadic storms 3) TRMM rainfall and lightning 4)GOES 9 satellite images/winds and NOAA aircraft radar of hurricane Luis, 5) lightning detector data merged with GOES image sequences, 6) Japanese GMS, TRMM, & ADEOS data 7) Chinese FY2 data 8) Meteosat & ERS/ATSR data 9) synchronized manipulation of multiple 3D numerical model views; etc. will be illustrated. The Image SpreadSheet has been highly successful in producing Earth science visualizations for public outreach.

Hasler, A. Fritz↗

Beyond Optimization: Exploring Novelty Discovery in Autonomous Experiments

Autonomous experiments (AEs) are transforming how scientific research is conducted by integrating artificial intelligence with automated experimental platforms. Current AEs primarily focus on the optimization of a predefined target; while accelerating this goal, such an approach limits the discovery of unexpected or unknown physical phenomena. Here, we introduce a novel framework, INS 2 ANE (Integrated Novelty Score−Strategic Autonomous Non-Smooth Exploration), to enhance the discovery of novel phenomena in autonomous microscopy experimentation. Our method integrates two key components: (1) a novelty scoring system that evaluates the uniqueness of experimental results and (2) a strategic sampling mechanism that promotes exploration of under-sampled regions even if they appear less promising by conventional criteria. We validate this approach on a preacquired data set with a known ground truth comprising of image−spectral pairs. We further implement the process on autonomous scanning probe microscopy experiments. INS 2 ANE significantly increases the diversity of explored phenomena in comparison to conventional optimization routines, enhancing the likelihood of discovering previously unobserved phenomena. These results demonstrate the potential for autonomous microscopy experiments to enhance the scientific discovery by navigating complex experimental spaces to uncover novel phenomena.

Materials↗

NASA/NOAA: Earth Science Electronic Theater 1999

The Electronic Theater (E-theater) presents visualizations which span the period from the original Suomi/Hasler animations of the first ATS-1 GEO weather satellite images in 1966 to the latest 1999 NASA Earth Science Vision for the next 25 years. Hot off the SGI-Onyx Graphics-Supercomputer are NASA's visualizations of Hurricanes Mitch, Georges, Fran and Linda. These storms have been recently featured on the covers of National Geographic, Time, Newsweek and Popular Science. Highlights will be shown from the NASA hurricane visualization resource video tape that has been used repeatedly this season on National and International network TV. Results will be presented from a new paper on automatic wind measurements in Hurricane Luis from 1-min GOES images that appeared in the November BAMS. The visualizations are produced by the NASA Goddard Visualization and Analysis Laboratory (VAL/912), and Scientific Visualization Studio (SVS/930), as well as other Goddard and NASA groups using NASA, NOAA, ESA, and NASDA Earth science datasets. Visualizations will be shown from the Earth Science E-Theater 1999 recently presented in Tokyo, Paris, Munich, Sydney, Melbourne, Honolulu, Washington, New York, and Dallas. The presentation Jan 11-14 at the AMS meeting in Dallas used a 4-CPU SGI/CRAY Onyx Infinite Reality Super Graphics Workstation with 8 GB RAM and a Terabyte Disk at 3840 X 1024 resolution with triple synchronized BarcoReality 9200 projectors on a 60ft wide screen. Visualizations will also be featured from the new Earth Today Exhibit which was opened by Vice President Gore on July 2, 1998 at the Smithsonian Air & Space museum in Washington, as well as those presented for possible use at the American Museum of Natural History (NYC), Disney EPCOT, and other venues. New methods are demonstrated for visualizing, interpreting, comparing, organizing and analyzing immense HyperImage remote sensing datasets and three dimensional numerical model results. We call the data from many new Earth sensing satellites, HyperImage datasets, because they have such high resolution in the spectral, temporal, spatial, and dynamic range domains. The traditional numerical spreadsheet paradigm has been extended to develop a scientific visualization approach for processing HyperImage datasets and 3D model results interactively. The advantages of extending the powerful spreadsheet style of computation to multiple sets of images and organizing image processing were demonstrated using the Distributed image SpreadSheet (DISS). The DISS is being used as a high performance testbed Next Generation Internet (NGI) VisAnalysis of: 1) El Nino SSTs and NDVI response 2) Latest GOES 10 5-min rapid Scans of 26 day 5000 frame movie of March & April '98 weather and tornadic storms 3) TRMM rainfall and lightning 4)GOES 9 satellite images/winds and NOAA aircraft radar of hurricane Luis, 5) lightning detector data merged with GOES image sequences, 6) Japanese GMS, TRMM, & ADEOS data 7) Chinese FY2 data 8) Meteosat & ERS/ATSR data 9) synchronized manipulation of multiple 3D numerical model views; and others will be illustrated. The Image SpreadSheet has been highly successful in producing Earth science visualizations for public outreach. Many of these visualizations have been widely disseminated through the world wide web pages of the HPCC/LTP/RSD program which can be found at http://rsd.gsfc.nasa.gov/rsd The one min interval animations of Hurricane Luis on ABC Nightline and the color perspective rendering of Hurricane Fran published by TIME, LIFE, Newsweek, Popular Science, National Geographic, Scientific American, and the "Weekly Reader" are some of the examples which will be shown.

Hasler, A. Fritz↗

Optimizing the optimizer for physics-informed neural networks and Kolmogorov-Arnold networks

Physics-Informed Neural Networks (PINNs) have revolutionized the computation of PDE solutions by integrating partial differential equations (PDEs) into the neural network’s training process as soft constraints, becoming an important component of the scientific machine learning (SciML) ecosystem. More recently, physics-informed Kolmogorv-Arnold networks (PIKANs) have also shown to be effective and comparable in accuracy with PINNs. In their current implementation, both PINNs and PIKANs are mainly optimized using first-order methods like Adam, as well as quasi-Newton methods such as BFGS and its low-memory variant, L-BFGS. However, these optimizers often struggle with highly nonlinear and non-convex loss landscapes, leading to challenges such as slow convergence, local minima entrapment, and (non)degenerate saddle points. In this study, we investigate the performance of Self- Scaled BFGS (SSBFGS), Self-Scaled Broyden (SSBroyden) methods and other advanced quasi-Newton schemes, including BFGS and L-BFGS with different line search strategies. These methods dynamically rescale updates based on historical gradient information, thus enhancing training efficiency and accuracy. We systematically compare these optimizers – using both PINNs and PIKANs – on key challenging PDEs, including the Burgers, Allen-Cahn, Kuramoto-Sivashinsky, Ginzburg-Landau, and Stokes equations. Additionally, we evaluate the performance of SSBFGS and SSBroyden for Deep Operator Network (DeepONet) architectures, demonstrating their effectiveness for data-driven operator learning. Our findings provide state-of-the-art results with orders-of-magnitude accuracy improvements without the use of adaptive weights or any other enhancements typically employed in PINNs. More broadly, our work reveal insights into the effectiveness of quasi-Newton optimization strategies in significantly improving the convergence and accurate generalization of PINNs and PIKANs.

97 MATHEMATICS AND COMPUTING↗