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DOE OSTI2026

Detector Interface for Streaming, Control, and Open-source integration (DISCO) v1.0.0

This suite consists of a multi-package ecosystem featuring detector emulators, EPICS areaDetector drivers, and remote server frameworks designed for the Advanced Light Source (ALS). Engineered for high-bandwidth devices—including VFCCD, Timepix3, Timepix4, and related pixel detectors—the software simulates hardware, wraps vendor SDKs into remote-callable servers, and integrates with open-source control systems. Key Capabilities: Distributed SDK Architecture: Server packages wrap hardware-specific SDKs, allowing areaDetector drivers to execute remote framework calls. This isolates proprietary libraries from the EPICS IOC, enhancing stability and enabling distributed computing across beamline networks. Device Support: Custom drivers for VFCCD, the Timepix family, and similar sensors optimize the data path from hardware control to high-speed transport. Full-Stack Emulation: Sophisticated emulator packages allow end-to-end pipeline testing and software development without requiring physical hardware or beam time. Integrated Workflows: Supports high-bandwidth streaming for real-time analysis and robust, metadata-rich file-based workflows (e.g., HDF5/NeXus). By standardizing interfaces across heterogeneous hardware, this suite reduces technical debt. It provides the ALS with a scalable, open-source solution to manage massive data rates within a unified control environment.

Mahl, Johannes [Lawrence Berkeley National Laborat↗

DOE OSTI2023

Control of multi-agent systems: Results, open problems, and applications

The purpose of this review article is to present some recent results on the modeling and control of large systems of agents. We focus on particular applications where the agents are capable of independent actions instead of simply reacting to external forces. In the literature, such agents were referred to as autonomous, intelligent, self-propelled, greedy, and others. The main applications we have in mind are social systems (as opinion dynamics), pedestrians’ movements (also called crowd dynamics), animal groups, and vehicular traffic. We note that the last three examples include physical constraints; however, the agents are able to inject energy into the system, thus preventing the typical conservation of momentum and energy. In addition, the control problems posed by such systems are new and require innovative methods. We illustrate some ideas developed recently, including the use of sparse controls, limiting the total variation of controls, and defining new control problems for measures. After reviewing various approaches, we discuss some future research directions of potential interest. The latter encompasses both new types of equations and new types of limiting procedures to connect several scales at which a system can be represented. We conclude by illustrating a recent real-life experiment using autonomous vehicles on an open highway to smooth traffic waves. This opens the door to a new era of interventions to control real-time multi-agent systems and to increase the societal impact of such interventions guided by control research.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

CalWave - Open Water Demonstration - Field Testing Content Models (10/21 - 7/22)

Data for the CalWave - Open Water Demonstration, a submerged pressure differential Wave Energy Converter (WEC) Device. Device is moored to the seabed, and the motion of the waves causes the sea level to rise and fall above the device, inducing a pressure differential in the device. The alternating pressure pumps fluid through a system to generate electricity, which is transmitted to shore via bidirectional cables. Documentation and data here includes: Open Water Demonstration, including field testing content models for nearly 10 months of continuous ocean operation, from October 2021 through July 2022.

16 TIDAL AND WAVE POWER↗

DOE OSTI2026

AmeriFlux FLUXNET-1F US-Dk1 Duke Forest-open field

This is the AmeriFlux Management Project (AMP) created FLUXNET-1F version of the carbon flux data for the site US-Dk1 Duke Forest-open field. This is the FLUXNET version of the carbon flux data for the site US-Dk1 Duke Forest-open field produced by applying the standard ONEFlux (1F) software. Site Description - The Duke Forest grass field is approximately 480×305 m, dominated by the C3 grass Festuca arundinacea Shreb. (tall fescue) includes minor components of C3 herbs and the C4 grass Schizachyrium scoparium (Michx.) Nash, not considered here. The site was burned in 1979 and is mowed annually during the summer for hay according to local practices. Lai, C.T. and G.G. Katul, 2000, "The dynamic role of root-water uptake in coupling potential to actual transpiration" , Advances in Water Resources, 23, 427-439; Novick , K.A., P. C. Stoy, G. G. Katul, D. S. Ellsworth, M. B. S. Siqueira, J. Juang, R. Oren, 2004, Carbon dioxide and water vapor exchange in a warm temperate grassland, Oecologia, 138, 259-274; Stoy PC, Katul GG, Siqueira MBS, Juang J-Y, McCarthy HR, Oishi AC, Uebelherr JM, Kim H-S, Oren R (2006). Separating the effects of climate and vegetation on evapotranspiration along a successional chronosequence in the southeastern U.S. Global Change Biology 12:2115-2135

Oishi, Chris [USDA Forest Service]↗

DOE OSTI2024

Adjoint Waveform Tomography for Crustal and Upper Mantle Structure of the Middle East and Southwest Asia for Improved Waveform Simulations Using Openly Available Broadband Data

Here we present a new model of radially anisotropic seismic wavespeeds for the crust and upper mantle of a broad region of the Middle East and Southwest Asia (MESWA) derived from adjoint waveform tomography. The new model enables fully 3D simulations of complete three-component waveforms and provides improved fits that were not possible with previous models. We inverted over 32,000 waveforms from 192 earthquakes recorded by over 1000 openly available broadband seismic stations from permanent and temporary networks in the region with highly uneven coverage. Inversion iterations proceeded from the period band 50–100 s in six stages and 54 total iterations reducing the minimum period to 30 s. Our final model, MESWA, improves waveform fits compared to the starting and other models for both the data used in the inversion and an independent validation set of 66 events. Restitution tests indicate that the model resolves features in the central part of the model to depths of about 150 km. The new model reveals tectonic features imaged by other studies and methods but in a new holistic model of anisotropic shear and compressional wavespeeds (V S and V P , respectively) covering a larger domain with smaller scale length and amplified features. Examples include low crustal V S in the Tethyan belt and low mantle VS following divergent (Gulf of Aden, Red Sea) and transform (Dead Sea fault) margins of the Arabian plate. Low V S is imaged below Cenozoic volcanic centers of the Mecca–Madina–Nafud Line, Arabian Peninsula, and the Türkiye–Iran border region. Elevated V S tracks Makran subduction under southeast Iran with near vertical dip. MESWA could be used as a starting model for further improvements, say, using waveforms from in-country seismic networks that are not currently openly available and/or smaller-scale studies targeting a shorter period. The model could be used to improve earthquake hazard studies and nuclear explosion monitoring.

58 GEOSCIENCES↗

DOE OSTI2020

Open Source Visualization and Analysis Platform for 3D Reconstructions of Materials by Transmission Electron Microscopy

Three-dimensional characterization of materials at the nano- and meso-scale has become possible with transmission and scanning transmission electron microscopes (S/TEM). Its importance has extended to a wide class of nanomaterials such as hydrogen fuel cells, solar cells, industrial catalysts, new battery materials and semiconductor devices, as well as spanning high-tech industry, universities, and national labs. While capable instrumentation is abundant, this rapidly expanding demand for high-resolution tomography is bottlenecked by software that is instead tailored for lower-dose, biological applications and not optimized for higher-resolution materials applications. Existing tomography fails to utilize the chemical information provided by S/TEM spectrometers. To address this problem, this project delivered a scalable, fully functional, freely-distributable, open Source materials tomography package with a modern user interface that enables automated acquisition, alignment, and real-time reconstruction of raw tomography data, and provides advanced segmentation, three-dimensional chemical visualization and analysis optimized for materials applications. It has established an extendable framework capable of automation for high-throughput for the tomography of materials from data acquisition to visualization. Phase I and II delivered a full-featured, cross-platform, clean and integrated application for S/TEM materials tomography. It can read projection data from the microscope, with graphical tools for alignment of data, tomographic reconstruction, segmentation, and visualization of the reconstructed 3D volume. The entire pipeline can be saved to an XML state file, enabling fully reproducible data processing and analysis with a full Python environment for the development of custom algorithms, processing, and analysis requirements. Phase IIB extended the application to provide real-time tomographic reconstruction, "live updates" as data is processed, analysis of big data, and multi-channel tomography. Here, quantitative assessment of nanomaterials can occur as data is being recorded on a 3D visualization platform that accommodates additional information from multiple channels. We provide unmatched high-throughput tomography, where the complete tomographic pipeline from measurement to 3D visualization can occur rapidly. The project was extended to offer capabilities for micro-CT, X-ray, neutron, focused ion beam, atomic electron tomography and atom probe tomography. With over 600 transmission electron microscopes worldwide and approximately 50 coming online each year, the demand and impact of an open-source tomography tool is large. Significant opportunities exist in high-tech industry, universities, and national labs to enable or enhance three-dimensional imaging at the nanoscale and bring automated high-throughput approaches that will accelerate progress in materials characterization and metrology. The project supports a service based business model by enabling lab-specific acquisition and processing customization and integration-support and development that will be provided into Phase III and beyond.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Sandia National Laboratories Ecosystem for Open Science: Metadata Schema v0.2 Description.

The Ecosystem for Open Science (eOS) initiative was established in 2019. Its objective is improving openness and sharing of data and information across Defense Nuclear Nonproliferation (DNN) Research and Development (R&D) activities. To support this initiative, the eOS team at Sandia National Laboratories (SNL) developed metadata and data standards and proposed a machine-readable metadata schema. The nuclear explosion monitoring field was selected as a focus area due to its the wide range of pertinent phenomenologies.We developed the DCAT-eOS-AP metadata schema extending the Data Catalog Vocabulary version 2 (DCATv2) standard using an application profile (AP), to fit the needs of multi-disciplinary NA-22 projects. The DCAT-eOS-AP metadata schema describes data at different levels of granularity ranging from general descriptions to more domain-specific granular metadata. Its implementation and serialization is flexible with the ability to include new file or data types. Thus, it will scale with the ever-increasing data management needs of government research. Due to the multitude of phenomenologies represented in the DCAT-eOS-AP schema, we anticipate that it will be easily extensible to various projects across many DOE mission areas. This document describes data management challenges faced within the DNN R&D portfolio and provides insight on how metadata and data standards/guidelines combined with a comprehensive metadata schema can add value to programs throughout the Department of Energy (DOE). It reviews the importance of metadata standards, FAIR (Findability, Accessibility, Interoperability, and Reusability) data principles, and metadata schemas. Additionally, it summarizes input from subject matter experts (SME) at SNL and other National Laboratories that resulted in metadata and data standards/guidelines encompassing domains relevant to NA-22 projects. Finally, we discuss the DCAT-eOS-AP metadata development. Implementation recommendations and future development directions are included for those keen on adopting the DCAT-eOS-AP metadata schema.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

DOE OSTI2021

Open Radiation Monitoring: Histogram Builder Module Design

The Open Radiation Monitoring Project seeks to develop and demonstrate a modular radiation detection architecture designed specifically for use in arms control treaty verification (ACTV) applications that will facilitate rapid development of trusted systems to meet the needs of potential future treaties. A modular architecture can be used to reduce more complex systems to a series of single purpose building blocks, thereby facilitating equipment inspection and in turn building trust in the equipment by all treaty parties. Furthermore, a modular architecture can be used to control data flow within the measurement system, reducing the risk of "hidden switches" and constraining the amount of sensitive information that could potentially be inadvertently leaked. This report details the first revision of a prototype circuit that will convert analog pulses directly into a histogrammed data set for further processing. The circuit was designed with both spectroscopy and multiplicity analysis in mind but can, in principle, be used to reduce any raw data stream into a histogram. The number of output channels is limited, and the histogram bin ranges are user configurable to allow for non-uniform and discontinuous bins, which makes it possible to restrict the information being passed down stream if desired. Pulse processing relies entirely on analog circuitry and non- programmable logic, which enables operation without the need for a central processor or other programmable control unit. The circuit remains untested under the Open Radiation Monitoring project due to the closure of the sponsoring program. However, further development and testing is scheduled to take place in support of a purpose-built trusted verification system development effort known as COGNIZANT, which demonstrates the potential benefit of developing a suite of modular trusted system components.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2020

Scalable Open-Air Deposition of Compact ETL TiOx on Perovskite for Fullerene-Free Solar Cells

We report on a scalable, low-temperature TiOx electron transport layer (ETL) produced directly on top of perovskite in an inverted architecture device by an open-air chemical vapor deposition (OA-CVD) process. The OA-CVD pyrolysis of a titanium ethoxide precursor forms a fully inorganic, conformal, and compact TiOx film. The resultant film is mechanically robust and exhibits a fracture toughness 30-fold higher than commonly used fullerene-based ETL films. The TiOx is an effective barrier layer against environmental degradation—unencapsulated devices with the TiOx ETL retain 60% of their initial efficiency after 1000 hours in ambient aging conditions—compared to devices with a fullerene ETL which were inoperable after 144 hours. Inverted architecture devices with an optimized TiOx ETL thickness of 70nm exhibited high open-circuit voltages of 1.08V. We comment on the photocatalytic properties of TiOx and the influence of an amorphous film on maximum power point stability.

Chen, Justin↗

DOE OSTI2022

Electron and Electron-Nuclear Dynamics of Open Quantum Subsystems

Leveraging an open-subsystem formulation of Density Functional Theory (DFT) we aim at describing periodic and molecular systems alike, including their electronic and nuclear dynamics. Subsystem DFT enables first principles simulations to approach realistic time- and length-scales, and most importantly sheds light on the dynamical behavior of complex systems. Taking subsystem DFT to the time domain allows us to inspect the electron dynamics of condensed-phase systems in real time. In liquids and interfaces, we observe all the relevant regimes proper of non-Markovian open quantum system dynamics, such as electronic energy transfer, and screening. In addition, the ab-initio modeling of system-bath interactions brought us to observe and justify the holographic time-dependent electron density theorem. Contrary to interactions between molecular (finite) systems, when molecules interact with metal or semiconductor surfaces the electron dynamics is strongly non-Markovian with dramatic repercussions to the molecule’s response to external perturbations. Metals and semiconductors typically have large polarizabilities, and even in a regime of low coupling their effect on impinging molecular species is significant–line broadening, peak shift, and intensity borrowing are observed, characterized, and explained in terms of inter-subsystem dynamical interactions and a many-body decomposition of the system’s density-density response function in a way that transcends the canons of Fermi Golden Rule.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2023

Dynamic Beam Shape Sensing and Control in an Open Architecture Metal AM System for Microstructure Manipulation

Most commercially available metal additive manufacturing (AM) systems are closed-architecture, meaning that the system manufacturer limits the ability of the user to directly control the process conditions and can modify the specified inputs using proprietary methods. Unfortunately, this approach severely limits or confounds the ability for users to perform research on fundamental aspects of additive manufacturing. ARCTOS Technology Solutions (ARCTOS) produces an open-architecture laser powder bed fusion (PBF) additive manufacturing system that allows the user to fully control all aspects of the process control and monitoring. The purpose of this project is to help develop beam shaping capabilities and controls within the ARCTOS open-architecture system for control of microstructure evolution during metal AM.

36 MATERIALS SCIENCE↗

DOE OSTI2026

A Streamlined, Open Source Neutronics Toolkit for Fusion Reactor Design (Final Report)

Final report for the DOE Fusion Energy Sciences project titled "A Streamlined, Open Source Neutronics Toolkit for Fusion Reactor Design". This project developed unstructured mesh tracking capabilities in OpenMC as well as two shutdown dose rate methodologies, and performed extensive performance improvements and validation of the open source Monte Carlo code, OpenMC.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Utilizing Amino Acid Composition and Entropy of Potential Open Reading Frames to Identify Protein-Coding Genes

One of the main steps in gene-finding in prokaryotes is determining which open reading frames encode for a protein, and which occur by chance alone. There are many different methods to differentiate the two; the most prevalent approach is using shared homology with a database of known genes. This method presents many pitfalls, most notably the catch that you only find genes that you have seen before. The four most popular prokaryotic gene-prediction programs (GeneMark, Glimmer, Prodigal, Phanotate) all use a protein-coding training model to predict protein-coding genes, with the latter three allowing for the training model to be created ab initio from the input genome. Different methods are available for creating the training model, and to increase the accuracy of such tools, we present here GOODORFS, a method for identifying protein-coding genes within a set of all possible open reading frames (ORFS). Our workflow begins with taking the amino acid frequencies of each ORF, calculating an entropy density profile (EDP), using KMeans to cluster the EDPs, and then selecting the cluster with the lowest variation as the coding ORFs. To test the efficacy of our method, we ran GOODORFS on 14,179 annotated phage genomes, and compared our results to the initial training-set creation step of four other similar methods (Glimmer, MED2, PHANOTATE, Prodigal). We found that GOODORFS was the most accurate (0.94) and had the best F1-score (0.85), while Glimmer had the highest precision (0.92) and PHANOTATE had the highest recall (0.96).

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Open-Source Data Analysis Tool for Spectral Small-Angle X-ray Scattering Using Spectroscopic Photon-Counting Detector

Spectral small-angle X-ray scattering (sSAXS) is a powerful technique for material characterization from thicker samples by capturing elastic X-ray scattering data in angle- and energy-dispersive modes at small angles. This approach is enabled by the use of a 2D spectroscopic photon-counting detector that provides energy and position information of scattered photons when a sample is irradiated by a polychromatic X-ray beam. Here, we describe an open-source tool with a graphical interface for analyzing sSAXS data obtained from a 2D spectroscopic photon-counting detector with a large number of energy bins. The tool takes system geometry parameters and raw detector data to output 1D scattering patterns and a 2D spatially-resolved scattering map in the energy range of interest. We validated these features using data from samples of caffeine powder with well-known scattering peaks. This open-source tool will facilitate sSAXS data analysis for various material characterization applications.

Chemistry↗

DOE OSTI2023

HydroChrono: An Open-Source Hydrodynamics Package for Project Chrono

In this paper we present the development and verification of HydroChrono, a hydrodynamics package for the Project Chrono physics engine. This package includes the implementation of hydrodynamics equations, the added mass for multibody systems, the development of I/O functions as well as a Python API, and comparison against standard reference cases and other existing tools. HydroChrono provides a flexible, fully open-source solution for simulating wave energy converters (WECs), floating offshore wind turbines (FOWTs) platforms, and other hydrodynamic systems. Here we show, via comparisons with existing tools for benchmark verification cases, that HydroChrono accurately models hydrodynamic forces - making it a useful tool for the design and optimization of these systems. Additionally, the integration of HydroChrono with Project Chrono offers access to finite element modeling capabilities and high-fidelity modelling - with Chrono's existing coupling to CFD and SPH codes. This provides numerical modelers with a multifidelity simulation framework for designing and validating these systems. The development of HydroChrono provides a new, open-source solution for simulating hydrodynamic systems. Its compatibility with other simulation tools enables a more streamlined and efficient design process, advancing the field and providing new opportunities for innovation in this area.

BEM↗

DOE OSTI2022

SALT3-NIR: Taking the Open-source Type Ia Supernova Model to Longer Wavelengths for Next-generation Cosmological Measurements

Abstract A large fraction of Type Ia supernova (SN Ia) observations over the next decade will be in the near-infrared (NIR), at wavelengths beyond the reach of the current standard light-curve model for SN Ia cosmology, SALT3 (∼2800–8700 Å central filter wavelength). To harness this new SN Ia sample and reduce future light-curve standardization systematic uncertainties, we train SALT3 at NIR wavelengths (SALT3-NIR) up to 2 μ m with the open-source model-training software SALTshaker , which can easily accommodate future observations. Using simulated data, we show that the training process constrains the NIR model to ∼2%–3% across the phase range (−20 to 50 days). We find that Hubble residual (HR) scatter is smaller using the NIR alone or optical+NIR compared to optical alone, by up to ∼30% depending on filter choice (95% confidence). There is significant correlation between NIR light-curve stretch measurements and luminosity, with stretch and color corrections often improving HR scatter by up to ∼20%. For SN Ia observations expected from the Roman Space Telescope, SALT3-NIR increases the amount of usable data in the SALT framework by ∼20% at redshift z ≲ 0.4 and by ∼50% at z ≲ 0.15. The SALT3-NIR model is part of the open-source SNCosmo and SNANA SN Ia cosmology packages.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Parametric Instability of Alfvén Waves and Wave Packets in Periodic and Open Systems

The parametric decay instability of Alfvén waves has been widely studied, but few investigations have examined wave packets of finite size and the effect of different boundary conditions on the growth rate. In this paper, we perform a linear analysis of circular and arc-polarized wave trains and wave packets in periodic and open boundary systems in a low- β plasma. We find that both types of wave are 3–5 times more stable in open boundary conditions compared to periodic. Additionally, once the wave packet width ℓ becomes smaller than the system size L , the growth rate decreases nearly with a power law γ ∝ ℓ / L . This study demonstrates that the stability of a pump wave cannot be separated from the laboratory settings, and that the growth rate of daughter waves depends on the conditions downstream and upstream of the pump wave and on the fraction of volume it fills. Our results can explain simulations and experiments of localized Alfvén waves. They also suggest that Alfvénic fluctuations in the solar wind, including sharp impulses known as switchbacks, can be more stable than traditional theory suggests depending on wind conditions.

Alfven waves↗

DOE OSTI2020

SICOPOLIS-AD v1: an open-source adjoint modeling framework for ice sheet simulation enabled by the algorithmic differentiation tool OpenAD

We present a new capability of the ice sheet model SICOPOLIS that enables flexible adjoint code generation via source transformation using the open-source algorithmic differentiation (AD) tool OpenAD.The adjoint code enables efficient calculation of the sensitivities of a scalar-valued objective function or quantity of interest (QoI) to a range of important, often spatially varying and uncertain model input variables, including initial and boundary conditions, as well as model parameters.Compared to earlier work on the adjoint code generation of SICOPOLIS, our work makes several important advances:(i) it is embedded within the up-to-date trunk of the SICOPOLIS repository – accounting for 1.5 decades of code development and improvements – and is readily available to the wider community;(ii) the AD tool used, OpenAD, is an open-source tool;(iii) the adjoint code developed is applicable to both Greenland and Antarctica, including grounded ice as well as floating ice shelves, with an extended choice of thermodynamical representations.A number of code refactorization steps were required. They are discussed in detail in an Appendix as they hold lessons for the application of AD to legacy codes at large.As an example application, we examine the sensitivity of the total Antarctic Ice Sheet volume to changes in initial ice thickness, austral summer precipitation, and basal and surface temperatures across the ice sheet.Simulations of Antarctica with floating ice shelves show that over 100 years of simulation the sensitivity of total ice sheet volume to the initial ice thickness and precipitation is almost uniformly positive, while the sensitivities to surface and basal temperature are almost uniformly negative. Sensitivity to austral summer precipitation is largest on floating ice shelves from Queen Maud to Queen Mary Land. The largest sensitivity to initial ice thickness is at outlet glaciers around Antarctica. Comparison between total ice sheet volume sensitivities to surface and basal temperature shows that surface temperature sensitivities are higher broadly across the floating ice shelves, while basal temperature sensitivities are highest at the grounding lines of floating ice shelves and outlet glaciers. A uniformly perturbed region of East Antarctica reveals that, among the four control variables tested here, total ice sheet volume is the most sensitive to variations in austral summer precipitation as formulated in SICOPOLIS.Comparison between adjoint- and finite-difference-derived sensitivities shows good agreement, lending confidence that the AD tool is producing correct adjoint code.The new modeling infrastructure is freely available at http://www.sicopolis.net (last access: 2 April 2020) under the development trunk.

58 GEOSCIENCES↗