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DOE OSTI2021

Probing function in 3D neuronal cultures: a survey of 3D multielectrode array advances

Recent advances in microphysiological systems (MPS) have made significant strides to include design features that reconstruct key elements found in the brain, and in parallel advanced technologies to detect the activity of electrogenic cells that form neural networks. In particular, three-dimensional multielectrode arrays (3D MEAs) are being developed with the increasing levels of spatial and temporal precision, difficult to achieve with current 2D MEAs, insertable MEA probes, and/or optical imaging of calcium dynamics. Thus, providing a means to monitor the flow of neural network activity within all three dimensions (X, Y, and Z) of the engineered tissue. In the last 6 years, 3D MEAs, using either “bottom-up” or “top-down” designs, have been developed to overcome the current technical challenges in monitoring the functionality of the in vitro systems. Herein, we will report on the design and application of novel 3D MEA prototypes for probing neural activity throughout the 3D neural tissue.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Large-Scale, GPU-Enhanced DFTB Approaches for Probing Multi-Component Alloys

The major goals of the project are to develop and apply GPU-enhanced density functional theory tight binding (DFTB) calculations for efficient simulations of structural materials of alloy systems. The figure below depicts the GPU algorithmic developments on the left that will be carried out, and the solid-state structures on the right are representative of the complex alloys that can be computed with the GPU-enhanced DFTB approach. The methodology and tools developed in this project encompass accurate intermolecular potentials and GPU enhancements to the density functional tight binding (DFTB) approach for high-throughput ab initio molecular dynamics calculations of multi-component alloys at elevated temperatures. While classical molecular dynamics can handle hundreds of thousands of atoms, it cannot provide a first-principles based description of large, multi-component alloys at the predictive quantum level. At the other extreme, conventional Kohn-Sham DFT methods can probe the true quantum nature of chemical systems; however, these methods cannot tackle the large sizes relevant to these multi-component systems. The DFTB-based ab initio molecular dynamics approach (coupled with our in-house GPU capabilities for enhanced speed) used in this project provides a viable approach for probing these large systems at a quantum level of detail that is significantly faster than current first-principle methods Collectively, the capabilities developed in this project directly respond to DOE HBCU-OMI, AOI 2-1 initiatives by (1) enabling accurate and efficient predictions and (2) bringing a fundamental understanding of structural interactions in these complex systems at elevated temperatures.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2021

IMS Rapid Response FY21 Summary Report for: Integrating Patterned Probes with Four-Dimensional Scanning Transmission Electron Microscopy for Unrivaled Crystallographic Structure Determination in Nanomaterials

The initial goal of our 4-dimensional scanning transmission electron microscopy (4D-STEM)-based project was to develop strain resolution two orders of magnitude better than what is now currently possible with electron-based scattering techniques, all while collecting scattering information from 7 different tilt axes at one time [multi-beam electron diffraction (MBED)1 ] through the development of a new electron probe-forming aperture with non-circular features (patterned probes 2 ). We set out to accomplish this through a collaboration with Drs. Colin Ophus and Ben Savitsky at Lawrence Berkeley Laboratory (they are the world-leading experts in developing the complex computational codes required to perform orientation analysis and quantitative strain mapping on our 4D-STEM data sets. We are motivated to invest in this area as it will be the only technique sensitive enough to perform three- dimensional automated crystallographic orientation mapping (ACOM) and strain mapping for materials exposed to external stimulus (a focus of our larger efforts).

36 MATERIALS SCIENCE↗

DOE OSTI2022

Multi-Probe Campaign FY23 Omega EP Shot Request [Slides]

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2022

The REDTOP experiment: Rare $\eta/\eta^{\prime}$ Decays To Probe New Physics

The $\eta$ and $\eta^{\prime}$ mesons are nearly unique in the particle universe since they are almost Goldstone bosons and the dynamics of their decays are strongly constrained. The integrated $\eta$-meson samples collected in earlier experiments amount to $\sim10^{9}$ events. A new experiment, REDTOP (Rare Eta Decays To Probe New Physics), is being proposed, with the intent of collecting a data sample of order 10$^{14}$ $\eta$ (10$^{12}$ $\eta^{\prime}$) for studying very rare decays. Such statistics are sufficient for investigating several symmetry violations, and for searching for particles and fields beyond the Standard Model. In this work we present several studies evaluating REDTOP sensitivity to processes that couple the Standard Model to New Physics through all four of the so-called \emph{portals}: the Vector, the Scalar, the Axion and the Heavy Lepton portal. The sensitivity of the experiment is also adequate for probing several conservation laws, in particular $CP$, $T$ and Lepton Universality, and for the determination of the $\eta$ form factors, which is crucial for the interpretation of the recent measurement of muon $g-2$.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

Report of the Topical Group on Cosmic Probes of Dark Matter for Snowmass 2021

Cosmological and astrophysical observations currently provide the only robust, positive evidence for dark matter. Cosmic probes of dark matter, which seek to determine the fundamental properties of dark matter through observations of the cosmos, have emerged as a promising means to reveal the nature of dark matter. This report summarizes the current status and future potential of cosmic probes to inform our understanding of the fundamental nature of dark matter in the coming decade.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

Upgrade of the Materials Analysis Particle Probe (MAPP-U) to decipher the impact of lithium-based surfaces on NSTX-U plasma behavior

Understanding the plasma wall interaction (PWI) remains a critical issue for the feasibility of thermonuclear magnetic fusion energy solutions. Key issues with PWI mechanisms in fusion tokamak reactors include: evolution of surface chemistry and its role on hydrogen retention. In particular how low-Z coatings such as lithium can impact the behavior of plasma at the edge and in the core. PMI (plasma-material interactions) are particularly important for strategies that involve low-recycling regimes and the use of lithium PFS (plasma-facing surfaces) to attain them, as in the case of NSTX-U. Recent reports have indicated the importance of access to the evolving plasma-facing surface during and in-between plasma discharges. Changes in surface chemistry and morphology due to ion bombardment and the difficulty of diagnosing plasma-facing surfaces, especially reactive surfaces, complicate the development of a predictive understanding of the wall and its interaction with the plasma. Consequently, this impairs the ability to design advanced PFC materials for future plasma-burning fusion reactors and appropriate PMI code validation. The Materials Analysis Particle Probe (MAPP) is an established and on-going PMI probe diagnostic system compatible with the highly chemically reactive system of lithium and boron coatings adopted by the NSTX-U research program. MAPP is the first PMI diagnostic to capture the surface physics and chemistry in-vacuo in a fusion tokamak system and correlate this data to controlled plasma shots. Currently MAPP captures this information at a fixed radial location at the NSTX-U outboard divertor region. The MAPP diagnostic has enabled understanding of the near-surface and surface chemistry of complex evolving lithiated and borated carbon-based PFC surfaces retention and transport of hydrogen. Coupled to atomistic simulations in collaboration with P. Krstic of Stony Brook U. MAPP has been very successful in achieving high-impact scientific research in its current grant period evidenced by two invited review articles and over 20 peer-reviewed manuscripts and over 40 contributed and invited presentations at both national and international conferences.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

Multi-Probe 22A: Post shot Data and Analysis

The Multi-Probe 22A experiments took place on the Omega EP laser in March 2022. The goal was to discover issues with simultaneous x-ray and proton radiography of static and dynamic test objects. The x-ray and proton probes were generated by short-pulse laser-matter interactions. Significant crosstalk between the proton beam and x-ray detector was observed. Several static radiographs were made, including a set of proton images made with different laser energies. No dynamic objects were radiographed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2023

Nanomechanics and Electronic Structure of Organic Photovoltaics in Real Application Conditions by Advanced Scanning Probe Microscopy (Final Technical Report for Project DE-SC0018041)

This project report consists of the following three sections: A.) Investigation of Charge Transport Properties in Semiconducting Conjugated Polymer Blends Using Computational Chemistry and Experiments: This section provides unpublished but valuable research results that correlate the electronic structure of PCBM:PCDTBT organic photovoltaic systems with their current-voltage characteristics. The presentation is structured in the form of a scientific publication. B.) Scanning Probe Microscopy Methodology Development Efforts for Organic Photovoltaic Materials: This section summarizes various published works focusing on advancements in scanning probe microscopy methods. Each sub-section corresponds to a scientific publication for which the abstract and citation are provided. C.) Other Publications Supported by the Project: This section lists additional published works partially supported by the project, which are not included in the previous two sections.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Multi-Probe Campaign FY24 Omega EP Shot Request [Slides]

The ultimate goal of the Multi-Probe experimental campaign is to assess the feasibility of using multiple probe species (x-ray, proton, neutron, and electron) in future LANL radiographic facilities. To use Omega EP most efficiently, two different experiments are proposed for each of the two requested days in FY24. In this way, shots may be interleaved on the two short pulse beams and the shot rate doubled. In FY24, we propose to continue to develop the neutron source by first optimizing the “pitcher” source of deuterons/protons and then adding the “catcher” neutron converter on day 2. The second series of experiments continues examining the origin and nature of the x-ray background found in our last two experiments. This background is not well understood or characterized by the community. The first day will measure the electrons emanating from the proton and x-ray targets while also optimizing the background shielding first used in FY23. The second day will test a geometry that enables simultaneous radiographs using both short-pulse beams.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2024

Multi-Probe FY25 Omega EP Shot Request [Slides]

The goal of the Multi-Probe experimental campaign is to assess the feasibility of using multiple probe types (x ray, proton, neutron, and electron) in future LANL radiographic facilities. X-ray and proton platforms have been demonstrated. The first attempts at simultaneous radiography were hampered by cross talk, which was the subject of FY23 & FY24 experiments. The major goal for FY25 is to demonstrate simultaneous radiography of both static and dynamic objects.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Probing and Understanding the Spatial and Energy Distributions of Plasmonic Hot Carriers via Single-Molecule Quantum Transport

The generation of hot carriers in plasmonic nanostructures offers new transformative opportunities for a range of applications, including solar energy harvesting, photochemistry, and photodetection. To better understand such phenomena, this project aims to develop an experimental approach to study and understand hot carrier distributions in photoexcited plasmonic nanostructures. The developed experimental approach, combining scanning probe-based single-molecule quantum transport measurements with plasmonic excitation methods, leverages nanoscopic single molecules as quantum energy filters to selectively access hot carriers in a variety of plasmonic nanostructures. This report summarizes the key outcomes, impacts, and lessons learned in the first two years of the project. Over the past two years, important progress was made in achieving the project's goals, including the development of the scanning probe-based experimental platform, fabrication of plasmonic nanostructures, and design and synthesis of the desired molecular candidates. Insights from this research will pave the path toward the development of technologies that will improve the way we harvest solar energy and drive chemical reactions and ultimately help transition the U.S. to a clean and sustainable society.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2024

Multi-Probe Radiography: For 2035 and Beyond

The Multi-Probe Radiography Project is investigating the use of multiple species of probe beams to provide more information from a radiography. Contextual radiographic, source, and measurements information is being provided through a series of four workshops at Los Alamos National Laboratory. The third workshop on Accelerator and Pulsed Power Technology is summarized in this report. The state of the large NNSA facilities such as Scorpius, DARHT, pRad, and Cygnus are presented. Future enhancements and innovative upgrades are also discussed.

43 PARTICLE ACCELERATORS↗

DOE OSTI2024

Addressing Experimental Challenges in Probing Dark Energy with Accuracy and Precision with the Rubin Observatory Legacy Survey of Space & Time (LSST)

With support from this award, the Stanford group under the leadership of PI Patricia Burchat focused on pixel-level algorithms that are key to the investigation of dark energy with the Vera C. Rubin Observatory Legacy Survey of Space and Time (LSST). The work was carried out through strong engagement in the DOE-supported LSST Dark Energy Science Collaboration (DESC), for which the PI served as Deputy Spokesperson (07/2019 - 07/2021) and Technical Coordinator (07/2021 - 07/2023). Members of the Burchat group are Full DESC members and are among scientists who have been accepted to join the Rubin Observatory System Integration, Test, and Commissioning (SIT-Com) effort. The specific intellectual focus of the group was the optimization of gravitational lensing as a probe of the evolution of the distribution of dark matter in space and time to learn about the nature of dark energy. The Stanford group pursued an integrated research program to understand in detail, and then remediate or calibrate, systematic effects that could limit the sensitivity of the LSST to cosmic shear as a dark energy probe -- particularly those related to our understanding of the atmospheric point spread function (PSF), challenges associated with blended galaxy images, and impacts of residual camera artifacts. Key to this work was developing, enhancing, and validating the fidelity of simulations that play a key role in the development of our understanding of subtle systematic biases and then using these simulations to develop techniques to characterize and mitigate biases, and associated algorithms for implementation in the LSST or DESC science pipelines. The group’s work included contributions to the open-source GalSim simulation package, which is widely used in the community; simulations and studies of spatial correlations of atmospheric PSFs; studies of temporal correlations of the atmospheric PSF; impacts of chromatic PSFs on cosmic shear calibration; continued studies of anisotropic Gaussian process interpolation of PSF models across the focal plane; and measuring and mitigating impacts of residual camera artifacts on cosmic shear. A primary impact of this work is that it increases the scientific discovery potential of the DOE and NSF investments in the Rubin Observatory Legacy Survey of Space \& Time, by addressing challenges in interpreting astronomical images through more accurate descriptions of the blurring of images due to the atmosphere. Specifically, this work impacts our ability to understand the fundamental nature of dark energy.

Burchat, Patricia Rose↗

DOE OSTI2024

Development of Operando Atom Probe to study field-assisted surface chemistry

Recent efforts at PNNL have led to the development of in-situ Atom Probe Tomography (ISAPT) and Operando Atom Probe (OAP), establishing PNNL as a key player in this technology, both in the U.S. and globally. OAP has already pushed the initial limits of APT, which was traditionally used at cryo temperatures (<60 K) and ultra-high vacuum (<10⁻¹² bar), to operate in the presence of reactive gases (up to 10⁻¹⁰ bar) at a maximum temperature of 300 K. Using OAP, we successfully observed Co and Fe oxidation in real-time at the nanoscale, revealing the importance of surface structures in these interactions. Additionally, OAP opens the possibility to explore the influence of local electric fields (EFs) on surface chemistry and hydrogen interactions at the nanoscale.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Calibrator for Airborne Aerosol Probes (CAAP) Field Campaign Report

In this campaign, Calibrator for Airborne Aerosol Probes (CAAP), Mesa Photonics provided its U.S. Department of Energy (DOE) Small Business Innovation Research (SBIR) Phase II prototype of a portable, battery-powered monodisperse aerosol/droplet generator to field-calibrate two aerosol/cloud characterization instruments deployed on the DOE Atmospheric Radiation Measurement (ARM) Aerial Facility (AAF) ArcticShark uncrewed aerial system (UAS) during the flight campaign conducted at ARM’s Southern Great Plains (SGP) atmospheric observatory and the Blackwell-Tonkawa airfield (Oklahoma) in May 2024. The CAAP campaign (May 20-24, 2024) partially overlapped with the main ARM AAF campaign, Turbulent Layers Promoting New Particle Formation (NPFTURBULENCE, May 7-27, 2024, Gannet Hallar, principal investigator). The main goal of the CAAP campaign was field validation of calibration of aerosol and cloud probes deployed on the ArcticShark UAS. The campaign also provided an opportunity to test and evaluate the Mesa Photonics’ monodisperse aerosol/droplet generator prototype in the field, under real-life operational conditions.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Project FELICIA - A probe to survey the RHIC magnet beampipe diameter for EIC beam screen insertion

The Electron Ion Collider (EIC) Hadron Storage Ring (HSR) will reuse many of the existing superconducting (SC) magnets of the RHIC storage rings. To comply with the beamline vacuum requirements in more demanding operational scenarios, the beampipe of the RHIC SC magnets will be equipped with low surface impedance, low secondary electron yield (SEY) beam screens. The installation of these beam screens will be done with the SC magnets as installed today, thus making it a critical operation for a timely EIC installation. The beam screen inner dimensions must be maximized to retain enough aperture to the beam. On the other hand, keeping enough clearance between the screen and the beampipe is critical to ensure a smooth beam screen installation. A survey probe was designed and built to measure the inner diameter of several RHIC SC magnets in-situ and provide critical data for the beam screen design optimization. This paper reports on the design of the probe and the results from the survey campaign.

43 PARTICLE ACCELERATORS↗

DOE OSTI2026

Probing BSM Oscillatory Signals with the DUNE Detectors and the LBNF Neutrino Beam: NSI and Sterile Neutrino Sensitivities

The Deep Underground Neutrino Experiment (DUNE) is a flagship long-baseline accelerator neutrino experiment under construction in the U.S. With a 1,300 km distance between its Near Detector (ND) and Far Detector (FD), the world’s most intense LBNF (Long-Baseline Neutrino Facility) neutrino beam, and high-resolution LArTPC (Liquid Argon Time Projection Chamber) detectors, DUNE will measure the neutrino oscillation parameters with unprecedented precision. In addition to the determination of the neutrino mass ordering and the potential discovery of Charge-Parity violation in the leptonic sector, DUNE's capabilities present a unique opportunity for probing Beyond the Standard Model (BSM) physics signals with neutrinos. Examples of BSM physics manifestations include the presence of Non-Standard Interactions (NSI) of neutrinos with matter, or the existence of sterile neutrinos that mix with 3-Flavor neutrinos. In this study, we present a joint ND+FD fit to simulated data assessing DUNE's sensitivity to probing neutrino NSI, as well as scenarios including sterile neutrino mixing.

Prais, Luiz [Cincinnati U.] (ORCID:000000018224947↗