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DOE OSTI2021

TPCPF: Three-Phase Continuation Power Flow Tool for Voltage Stability Assessment of Distribution Networks With Distributed Energy Resources

This article presents a three-phase unbalanced continuation power flow algorithm for voltage stability assessment of distribution systems with high penetration of distributed energy resources (DERs). Analyzing distribution system voltage stability with DER will allow high penetration of renewable energy necessary for the sustainability goals. The developed algorithm can analyze voltage stability for both the meshed and radial systems and the balanced and unbalanced three-phase distribution systems. The developed tool allows the voltage stability analysis to facilitate the planning, operation, control, and distribution system management. The impact of DER on the voltage stability of several test cases has been analyzed considering constant power (P Q) and regulated-voltage (P V ) modes of operation for DER units. Moreover, different voltage stability case studies are presented to demonstrate the impact of unbalance, load increment, and network topology on the maximum loading capacity. Finally, results using the IEEE 13-node feeder, the 18-bus balanced shipboard system, the 13-node CIGRE benchmark system, and the 136-bus redial distribution feeder demonstrate that the developed continuation power flow tool can efficiently perform voltage stability analysis for active distribution systems.

42 ENGINEERING↗

DOE OSTI2016

Integrated Modeling Approach for Optimal Management of Water, Energy and Food Security Nexus

We report that water, energy and food (WEF) are inextricably interrelated. Effective planning and management of limited WEF resources to meet current and future socioeconomic demands for sustainable development is challenging. WEF production/delivery may also produce environmental impacts; as a result, green-house-gas emission control will impact WEF nexus management as well. Nexus management for WEF security necessitates integrated tools for predictive analysis that are capable of identifying the tradeoffs among various sectors, generating cost-effective planning and management strategies and policies. To address these needs, we have developed an integrated model analysis framework and tool called WEFO. WEFO provides a multi-period socioeconomic model for predicting how to satisfy WEF demands based on model inputs representing productions costs, socioeconomic demands, and environmental controls. WEFO is applied to quantitatively analyze the interrelationships and trade-offs among system components including energy supply, electricity generation, water supply-demand, food production as well as mitigation of environmental impacts. WEFO is demonstrated to solve a hypothetical nexus management problem consistent with real-world management scenarios. Model parameters are analyzed using global sensitivity analysis and their effects on total system cost are quantified. Lastly, the obtained results demonstrate how these types of analyses can be helpful for decision-makers and stakeholders to make cost-effective decisions for optimal WEF management.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2017

TRANSFORM - TRANsient Simulation Framework of Reconfigurable Models

A Modelica based library for modeling thermal hydraulic energy systems and other multi-physics systems. Existing development tools for early stage design and scoping of energy systems are often time consuming to use, proprietary, and do not contain the necessary function to model complete systems (i.e., controls, primary, and secondary systems) in a common platform. The Modelica programming language based TRANSFORM tool (1) provides a standardized, common simulation environment for early design of energy systems (i.e., power plants), (2) provides a library of baseline component modules to be assembled into full plant models using available geometry, design, and thermal-hydraulic data, (3) defines modeling conventions for interconnecting component models, and (4) establishes user interfaces and support tools to facilitate simulation development (i.e., configuration and parameterization), execution, and results display and capture.

Greenwood, MichaelS. [Oak Ridge National Lab. (ORN↗

DOE OSTI2017

TRANSFORM - TRANsient Simulation Framework of Reconfigurable Models

Existing development tools for early stage design and scoping of energy systems are often time consuming to use, proprietary, and do not contain the necessary function to model complete systems (i.e., controls, primary, and secondary systems) in a common platform. The Modelica programming language based TRANSFORM tool (1) provides a standardized, common simulation environment for early design of energy systems (i.e., power plants), (2) provides a library of baseline component modules to be assembled into full plant models using available geometry, design, and thermal-hydraulic data, (3) defines modeling conventions for interconnecting component models, and (4) establishes user interfaces and support tools to facilitate simulation development (i.e., configuration and parameterization), execution, and results display and capture.

Greenwood, Michael S↗

DOE OSTI2012

In-Situ Radiological Surveys to Address Nuclear Criticality Safety Requirements During Remediation Activities at the Shallow Land Disposal Area, Armstrong County, Pennsylvania - 12268

Cabrera Services Inc. (CABRERA) is the remedial contractor for the Shallow Land Disposal Area (SLDA) Site in Armstrong County Pennsylvania, a United States (US) Army Corps of Engineers - Buffalo District (USACE) contract. The remediation is being completed under the USACE's Formerly Utilized Sites Remedial Action Program (FUSRAP) which was established to identify, investigate, and clean up or control sites previously used by the Atomic Energy Commission (AEC) and its predecessor, the Manhattan Engineer District (MED). As part of the management of the FUSRAP, the USACE is overseeing investigation and remediation of radiological contamination at the SLDA Site in accordance with the Comprehensive Environmental Response, Compensation, and Liability Act (CERCLA), 42 US Code (USC), Section 9601 et. seq, as amended and, the National Oil and Hazardous Substance Pollution Contingency Plan (NCP), Title 40 of the Code of Federal Regulations (CFR) Section 300.430(f) (2). The objective of this project is to clean up radioactive waste at SLDA. The radioactive waste contains special nuclear material (SNM), primarily U-235, in 10 burial trenches, Cabrera duties include processing, packaging and transporting the waste to an offsite disposal facility in accordance with the selected remedial alternative as defined in the Final Record of Decision (USACE, 2007). Of particular importance during the remediation is the need to address nuclear criticality safety (NCS) controls for the safe exhumation and management of waste containing fissile materials. The partnership between Cabrera Services, Inc. and Measutronics Corporation led to the development of a valuable survey tool and operating procedure that are essential components of the SLDA Criticality Safety and Material Control and Accountability programs. Using proven existing technologies in the design and manufacture of the Mobile Survey Cart, the continued deployment of the Cart will allow for an efficient and reliable methodology to allow for the safe exhumation of the Special Nuclear Material in existing SLDA trenches. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2013

A Distributed Intelligent Automated Demand Response Building Management System

The goal of the 2.5 year Distributed Intelligent Automated Demand Response (DIADR) project was to reduce peak electricity load of Sutardja Dai Hall at UC Berkeley by 30% while maintaining a healthy, comfortable, and productive environment for the occupants. We sought to bring together both central and distributed control to provide “deep” demand response1 at the appliance level of the building as well as typical lighting and HVAC applications. This project brought together Siemens Corporate Research and Siemens Building Technology (the building has a Siemens Apogee Building Automation System (BAS)), Lawrence Berkeley National Laboratory (leveraging their Open Automated Demand Response (openADR), Auto-Demand Response, and building modeling expertise), and UC Berkeley (related demand response research including distributed wireless control, and grid-to-building gateway development). Sutardja Dai Hall houses the Center for Information Technology Research in the Interest of Society (CITRIS), which fosters collaboration among industry and faculty and students of four UC campuses (Berkeley, Davis, Merced, and Santa Cruz). The 141,000 square foot building, occupied in 2009, includes typical office spaces and a nanofabrication laboratory. Heating is provided by a district heating system (steam from campus as a byproduct of the campus cogeneration plant); cooling is provided by one of two chillers: a more typical electric centrifugal compressor chiller designed for the cool months (Nov- March) and a steam absorption chiller for use in the warm months (April-October). Lighting in the open office areas is provided by direct-indirect luminaries with Building Management System-based scheduling for open areas, and occupancy sensors for private office areas. For the purposes of this project, we focused on the office portion of the building. Annual energy consumption is approximately 8053 MWh; the office portion is estimated as 1924 MWh. The maximum peak load during the study period was 1175 kW. Several new tools facilitated this work, such as the Smart Energy Box, the distributed load controller or Energy Information Gateway, the web-based DR controller (dubbed the Central Load-Shed Coordinator or CLSC), and the Demand Response Capacity Assessment & Operation Assistance Tool (DRCAOT). In addition, an innovative data aggregator called sMAP (simple Measurement and Actuation Profile) allowed data from different sources collected in a compact form and facilitated detailed analysis of the building systems operation. A smart phone application (RAP or Rapid Audit Protocol) facilitated an inventory of the building’s plug loads. Carbon dioxide sensors located in conference rooms and classrooms allowed demand controlled ventilation. The extensive submetering and nimble access to this data provided great insight into the details of the building operation as well as quick diagnostics and analyses of tests. For example, students discovered a short-cycling chiller, a stuck damper, and a leaking cooling coil in the first field tests. For our final field tests, we were able to see how each zone was affected by the DR strategies (e.g., the offices on the 7th floor grew very warm quickly) and fine-tune the strategies accordingly.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2018

Attribution of gamma-ray background collected by a mobile detector system to its surroundings using panoramic video

Mobile radiation detector systems are important tools for detecting radiological and nuclear sources outside of regulatory control, but due to their mobility, they are subject to complex and varying backgrounds in most realistic operational scenarios. Recent work has found correlations between non-radiological contextual information and gamma-ray spectral features that can be used to decrease false alarm rates, however a more complete understanding of background source terms has been elusive. A measurement campaign developed a full radiological characterization of a controlled facility that roughly corresponded to two city blocks. As part of the campaign, the Radiological Multi-sensor Analysis Platform (RadMAP) collected extensive multi-sensor data. In this work, RadMAP’s panoramic video data were used to visually identify several different materials and quantify the detector response to each material. A linear model was fit between the material responses and radiological features, and the results demonstrate reasonable agreement with ground truth flux measurements for each material. This paper will describe the data collection, processing, and analysis of the gamma-ray and video data from RadMAP. The paper will conclude with perspectives on the applicability of such a method to less controlled environments both with respect to achieving better understanding the sources of variability of background radiation in urban environments and whether such methods could be leveraged in operational scenarios.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2024

Simple and General Unitarity Conserving Numerical Real-Time Propagators of the Time-Dependent Schrödinger Equation Based on Magnus Expansion

Magnus expansion (ME) provides a general way to expand the real-time propagator of a time-dependent Hamiltonian within the exponential such that the unitarity is satisfied at any order. Here, we use this property and explicit integration of Lagrange interpolation formulas for the time-dependent Hamiltonian within each time interval and derive approximations that preserve unitarity for the differential time evolution operators of general time-dependent Hamiltonians. The resulting second-order approximation is the same as using the average of Hamiltonians for two end points of time. We identify three fourth-order approximations involving commutators of Hamiltonians at different times and also derive a sixth-order expression. A test of these approximations along with other available expressions for a two-state time-dependent Hamiltonian with sinusoidal time dependences provides information on the relative performance of these approximations and suggests that the derived expressions can serve as useful numerical tools for time evolution in time-resolved spectroscopy, quantum control, quantum sensing, real-time ab initio quantum dynamics, and open system quantum dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Predicting Pulsed-Laser Deposition SrTiO 3 Homoepitaxy Growth Dynamics Using High-Speed Reflection High-Energy Electron Diffraction

Pulsed-laser deposition (PLD) is a powerful technique for growing complex oxides with controlled stoichiometry. To understand growth dynamics therein, it is common to leverage in situ spectroscopies, such as reflection high-energy electron diffraction (RHEED), to monitor surface crystallinity. Most commercial systems rely on video-rate cameras operating at 60-120 Hz that lack sufficient temporal resolution to capture growth dynamics at practical deposition frequencies. Here, a high-speed platform to record in situ dynamics via RHEED at >500 Hz is implemented. An open-source analysis package is designed to fit diffraction spots to 2D Gaussians, allowing single-pulse surface reconstruction kinetics extraction. Using homoepitaxially deposited (001)-oriented SrTiO 3 as a model system, we demonstrate how high-speed RHEED can provide real-time insight into growth processes obscured by slower acquisition systems. By fitting the single-pulse intensity to a set of exponential functions, we observe changes in the characteristic decay time and mechanism correlated to the substrate step width and surface termination. We observe distinct surface effects, with diffraction intensity decaying on lower-energy TiO 2 -terminated surfaces and stabilizing on SrO- or mixed-terminated surfaces. Similarly, using an exponential model, the extracted characteristic time of adatom deposition decreases with increased density of bonding sites associated with mixed termination and narrower step widths. Ultimately, this work shows how increasing RHEED temporal resolution can uncover new insights into growth processes, with practical implications for the design and control of PLD processes. This experimental platform provides new capabilities to enable data-driven machine learning analysis and autonomous control systems to enhance the complexity and fecundity of PLD.

(SrO)↗

DOE OSTI2025

Forecasting Battery Electrode Performance via Electrochemical Fluorescence Microscopy and Machine-Learning

Predicting lithium-ion battery performance is hindered by microscale electrode heterogeneities invisible to conventional diagnostics. Here, we combine electrochemical fluorescence microscopy (EFM), which maps electronic connectivity by visualizing an electrofluorophore reaction distribution, with a multitask ElasticNet regression to forecast discharge capacity from spatial heterogeneity. Analyzing 196 images from six pilot-scale LiNi 0.5 Mn 0.3 Co 0.2 O 2 cathodes with varying carbon loadings, we extract 62 descriptors that capture morphology and texture. A compact five-feature model predicts capacity across eight discharge rates, achieving a per-target R 2 of up to 0.63 and an overall R 2 of 0.92, with a mean absolute percentage error of less than 2%. This performance rivals impedance-based approaches while avoiding their reliance on postformation data and incomplete electronic network information. Our facile and rapid, image-driven method may enable electrode quality control upstream of costly cell assembly to offer a transformative tool for data-driven battery research and manufacturing.

battery electrodes↗

DOE OSTI2019

Novel Representation of Leaf Phenology Improves Simulation of Amazonian Evergreen Forest Photosynthesis in a Land Surface Model

Leaf phenology in the humid tropics largely regulates the seasonality of forest carbon and water exchange. However, it is inadequately represented in most global land surface models due to limited understanding of its controls. Based on intensive field studies at four Amazonian evergreen forests, we propose a novel, quantitative representation of tropical forest leaf phenology, which links multiple environmental variables with the seasonality of new leaf production and old leaf litterfall. The new phenology simulates higher rates of leaf turnover (new leaves replacing old leaves) in dry seasons with more sunlight, which is then implemented in ORCHIDEE, together with recent findings of ontogeny-associated photosynthetic capacity, and is evaluated against ground-based measurements of leaf phenology (canopy leaf area index and litterfall), eddy covariance fluxes (photosynthesis and latent heat), and carbon allocations from field observations. Results show the periodical cycles of solar radiation and vapor pressure deficit are the two most important environmental variables that are empirically related to new leaf production and old leaf abscission in tropical evergreen forests. The model with new representation of leaf phenology captures the seasonality of canopy photosynthesis at three out of four sites, as well as the seasonality of litterfall, latent heat, and light use efficiency of photosynthesis at all tested sites, and improves the seasonality of carbon allocations to leaves, roots, and sapwoods. This study advances understanding of the environmental controls on tropical leaf phenology and offers an improved modeling tool for gridded simulations of interannual CO 2 and water fluxes in the tropics.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2019

Interplay between superconductivity and itinerant magnetism in underdoped Ba 1–x K x Fe 2 As 2 (x = 0.2) probed by the response to controlled point-like disorder

The response of superconductors to controlled introduction of point-like disorder is an important tool to probe their microscopic electronic collective behavior. In the case of iron-based superconductors, magnetic fluctuations presumably play an important role in inducing high-temperature superconductivity. In some cases, these two seemingly incompatible orders coexist microscopically. Therefore, understanding how this unique coexistence state is affected by disorder can provide important information about the microscopic mechanisms involved. In one of the most studied pnictide family, hole-doped Ba 1–x K x Fe 2 As 2 (BaK122), this coexistence occurs over a wide range of doping levels, 0.16 ≲ x ≲ 0.25. We used relativistic 2.5 MeV electrons to induce vacancy-interstitial (Frenkel) pairs that act as efficient point-like scattering centers. Upon increasing dose of irradiation, the superconducting transition temperature Tc decreases dramatically. In the absence of nodes in the order parameter this provides a strong support for a sign-changing s± pairing. Simultaneously, in the normal state, there is a strong violation of the Matthiessen’s rule and a decrease (surprisingly, at the same rate as T c ) of the magnetic transition temperature Tsm, which indicates the itinerant nature of the long-range magnetic order. Comparison of the hole-doped BaK122 with electron-doped Ba(Fe x Co 1–x ) 2 As 2 (FeCo122) with similar T sm ~ 110 K, x = 0.02, reveals significant differences in the normal states, with no apparent Matthiessen’s rule violation above T sm on the electron-doped side. We interpret these results in terms of the distinct impact of impurity scattering on the competing itinerant antiferromagnetic and s± superconducting orders.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2026

Radioactive molecules as laboratories of fundamental physics

Radioactive molecules provide a new platform in the search for new physics, at energy scales complementary to those probed by high-energy particle colliders. Here, by combining enhancements from nuclear properties with the sensitivity and control offered by molecular structure, experiments with radioactive molecules offer great reach in the search for physics beyond the standard model. Progress in this field is being driven by advances in the production and control of radioactive molecules, alongside the development of new experimental tools and theoretical techniques. In this Perspective, we discuss the current status and future prospects of this rapidly developing, interdisciplinary field at the intersection of nuclear physics, atomic and molecular physics and particle physics.

Jadbabaie, A. [Massachusetts Institute of Technolo↗

DOE OSTI2021

Design and evaluation of a cyber‐physical testbed for improving attack resilience of power systems

Abstract A power system is a complex cyber‐physical system whose security is critical to its function. A major challenge is to model, analyse and visualise the communication backbone of the power systems concerning cyber threats. To achieve this, the design and evaluation of a cyber‐physical power system (CPPS) testbed called Resilient Energy Systems Lab (RESLab) are presented to capture realistic cyber, physical, and protection system features. RESLab is architected to be a fundamental platform for studying and improving the resilience of complex CPPS to cyber threats. The cyber network is emulated using Common Open Research Emulator (CORE), which acts as a gateway for the physical and protection devices to communicate. The physical grid is simulated in the dynamic time frame using Power World Dynamic Studio (PWDS). The protection components are modelled with both PWDS and physical devices including the SEL Real‐Time Automation Controller (RTAC). Distributed Network Protocol 3 (DNP3) is used to monitor and control the grid. Then, the design is exemplified and the tools are validated. This work presents four case studies on cyberattack and defence using RESLab, where we demonstrate false data and command injection using Man‐in‐the‐Middle and Denial of Service attacks and validate them on a large‐scale synthetic electric grid.

Sahu, Abhijeet↗

DOE OSTI2015

A unified model to determine the energy partitioning between target and plasma in nanosecond laser ablation of silicon

In semiconductor industry, pulsed nanosecond lasers are widely applied for the separation of silicon wafers. Here, the high intensities employed activate a cascade of complex multi-physical and multi-phase mechanisms, which finally result in the formation of a laser induced plasma, shielding the target from the incoming laser beam. Such induced plasma plume, by preventing the laser to effectively reach the target, reduces the overall efficiency and controllability of the ablation process. Modelling can be a useful tool in the optimization of industrial laser applications, allowing a deeper understanding of the way the laser energy distributes between target and induced plasma. Nevertheless, the highly multi-physical character of laser ablation poses serious challenges on the implementation of the various mechanisms underlying the process within a common modelling framework. A novel strategy is here proposed in order to simulate in a simplified, yet physically consistent way, a typical industrial application as laser ablation of silicon wafers. Reasonable agreement with experimental findings is obtained. Three fundamental mechanisms have been identified as the main factors influencing the accuracy of the numerical predictions: the transition from evaporative to volumetric mass removal occurring at critical temperature, the collisional and radiative processes underlying the initial plasma formation stage and the increased impact of the liquid ejection mechanism when a sub-millimeter laser footprint is used.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Simultaneous measurements of volume, pressure, optical images, and crystal structure with a dynamic diamond anvil cell: A real-time event monitoring system

The dynamic diamond anvil cell (dDAC) technique has attracted great interest because it possibly provides a bridge between static and dynamic compression studies with fast, repeatable, and controllable compression rates. The dDAC can be a particularly useful tool to study the pathways and kinetics of phase transitions under dynamic pressurization if simultaneous measurements of physical quantities are possible as a function of time. We report the development of a real-time event monitoring (RTEM) system with dDAC, which can simultaneously record the volume, pressure, optical image, and structure of materials during dynamic compression runs. In particular, the volume measurement using both Fabry–Pérot interferogram and optical images facilitates the construction of an equation of state (EoS) using the dDAC in a home-laboratory. We also developed an in-line ruby pressure measurement (IRPM) system to be deployed at a synchrotron x-ray facility. This system provides simultaneous measurements of pressure and x-ray diffraction in low and narrow pressure ranges. The EoSs of ice VI obtained from the RTEM and the x-ray diffraction data with the IRPM are consistent with each other. The complementarity of both RTEM and IRPM systems will provide a great opportunity to scrutinize the detailed kinetic pathways of phase transitions using dDAC.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2016

Structure and function of the yeast listerin (Ltn1) conserved N-terminal domain in binding to stalled 60S ribosomal subunits

The Ltn1 E3 ligase (listerin in mammals) has emerged as a paradigm for understanding ribosome-associated ubiquitylation. Ltn1 binds to 60S ribosomal subunits to ubiquitylate nascent polypeptides that become stalled during synthesis; among Ltn1’s substrates are aberrant products of mRNA lacking stop codons [nonstop translation products (NSPs)]. Here, we report the reconstitution of NSP ubiquitylation in Neurospora crassa cell extracts. Upon translation in vitro, ribosome-stalled NSPs were ubiquitylated in an Ltn1-dependent manner, while still ribosome-associated. Furthermore, we provide biochemical evidence that the conserved N-terminal domain (NTD) plays a significant role in the binding of Ltn1 to 60S ribosomal subunits and that NTD mutations causing defective 60S binding also lead to defective NSP ubiquitylation, without affecting Ltn1’s intrinsic E3 ligase activity. Finally, we report the crystal structure of the Ltn1 NTD at 2.4-Å resolution. The structure, combined with additional mutational studies, provides insight to NTD’s role in binding stalled 60S subunits. Furthermore, our findings show that Neurospora extracts can be used as a tool to dissect mechanisms underlying ribosome-associated protein quality control and are consistent with a model in which Ltn1 uses 60S subunits as adapters, at least in part via its NTD, to target stalled NSPs for ubiquitylation.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2015

Modeling the Transfer Function for the Dark Energy Survey

We present a forward-modeling simulation framework designed to model the data products from the Dark Energy Survey (DES). This forward-model process can be thought of as a transfer function—a mapping from cosmological/astronomical signals to the final data products used by the scientists. Using output from the cosmological simulations (the Blind Cosmology Challenge), we generate simulated images (the Ultra Fast Image Simulator) and catalogs representative of the DES data. In this work we demonstrate the framework by simulating the 244 deg 2 coadd images and catalogs in five bands for the DES Science Verification data. The simulation output is compared with the corresponding data to show that major characteristics of the images and catalogs can be captured. We also point out several directions of future improvements. Two practical examples—star-galaxy classification and proximity effects on object detection—are then used to illustrate how one can use the simulations to address systematics issues in data analysis. With clear understanding of the simplifications in our model, we show that one can use the simulations side-by-side with data products to interpret the measurements. This forward modeling approach is generally applicable for other upcoming and future surveys. It provides a powerful tool for systematics studies that is sufficiently realistic and highly controllable.

79 ASTRONOMY AND ASTROPHYSICS↗