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DOE OSTI2023

Adaptive controller for forced oscillation suppression in the grid

A control system and method for an inverter-based resource device provided in a synchronous power grid. The control system includes at least one inverter based resource device connected to an electrical power system, and a controller module. The inverter based resource device includes a reference power Pref, a combination module and a transfer function. The inverter based resource device injects modulated power into the power system. The power system (which is represented by a transfer function in the control system) receives an undesirable forced oscillation, which is connected to a measuring device. A controller module processes the measured output and provides a control signal to the inverter based resource device. The controller is arranged to suppress a forced oscillation detected in the power system.

Guttromson, Ross↗

DOE OSTI2015

Geminal embedding scheme for optimal atomic basis set construction in correlated calculations

We introduce an efficient method to construct optimal and system adaptive basis sets for use in electronic structure and quantum Monte Carlo calculations. The method is based on an embedding scheme in which a reference atom is singled out from its environment, while the entire system (atom and environment) is described by a Slater determinant or its antisymmetrized geminal power (AGP) extension. The embedding procedure described here allows for the systematic and consistent contraction of the primitive basis set into geminal embedded orbitals (GEOs), with a dramatic reduction of the number of variational parameters necessary to represent the many-body wave function, for a chosen target accuracy. Within the variational Monte Carlo method, the Slater or AGP part is determined by a variational minimization of the energy of the whole system in presence of a flexible and accurate Jastrow factor, representing most of the dynamical electronic correlation. The resulting GEO basis set opens the way for a fully controlled optimization of many-body wave functions in electronic structure calculation of bulk materials, namely, containing a large number of electrons and atoms. We present applications on the water molecule, the volume collapse transition in cerium, and the high-pressure liquid hydrogen.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2014

Sensitivity Analysis of Wind Plant Performance to Key Turbine Design Parameters: A Systems Engineering Approach; Preprint

This paper introduces the development of a new software framework for research, design, and development of wind energy systems which is meant to 1) represent a full wind plant including all physical and nonphysical assets and associated costs up to the point of grid interconnection, 2) allow use of interchangeable models of varying fidelity for different aspects of the system, and 3) support system level multidisciplinary analyses and optimizations. This paper describes the design of the overall software capability and applies it to a global sensitivity analysis of wind turbine and plant performance and cost. The analysis was performed using three different model configurations involving different levels of fidelity, which illustrate how increasing fidelity can preserve important system interactions that build up to overall system performance and cost. Analyses were performed for a reference wind plant based on the National Renewable Energy Laboratory's 5-MW reference turbine at a mid-Atlantic offshore location within the United States.

17 WIND ENERGY↗

DOE OSTI2014

Radio-optical reference frame link using the U.S. Naval observatory astrograph and deep CCD imaging

Between 1997 and 2004 several observing runs were conducted, mainly with the CTIO 0.9 m, to image International Celestial Reference Frame (ICRF) counterparts (mostly QSOs) in order to determine accurate optical positions. Contemporary to these deep CCD images, the same fields were observed with the U.S. Naval Observatory astrograph in the same bandpass. They provide accurate positions on the Hipparcos/Tycho-2 system for stars in the 10-16 mag range used as reference stars for the deep CCD imaging data. Here we present final optical position results of 413 sources based on reference stars obtained by dedicated astrograph observations that were reduced following two different procedures. These optical positions are compared to radio very long baseline interferometry positions. The current optical system is not perfectly aligned to the ICRF radio system with rigid body rotation angles of 3-5 mas (= 3σ level) found between them for all three axes. Furthermore, statistically, the optical-radio position differences are found to exceed the total, combined, known errors in the observations. Systematic errors in the optical reference star positions and physical offsets between the centers of optical and radio emissions are both identified as likely causes. A detrimental, astrophysical, random noise component is postulated to be on about the 10 mas level. If confirmed by future observations, this could severely limit the Gaia to ICRF reference frame alignment accuracy to an error of about 0.5 mas per coordinate axis with the current number of sources envisioned to provide the link. A list of 36 ICRF sources without the detection of an optical counterpart to a limiting magnitude of about R = 22 is provided as well.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Impedance Methods for Analyzing Stability Impacts of Inverter-Based Resources: Stability Analysis Tools for Modern Power Systems

Power systems around the world are undergoing a major transformation because of the increasing shares of renewable energy, growing deployment of energy storage systems, proliferation of distributed energy resources, electrification of other sectors, and so on. In the United States, wind and solar provided almost 10% of electricity in 2019. The U.S. Energy Information Administration, in its 2020 Annual Energy Outlook, forecasted that the share of electricity from renewables will reach 38% by 2050, of which more than 80% will come from wind and solar. Wind and solar, along with battery energy storage systems, interface with the grid using power electronic inverters; hence, they are collectively referred to as inverter-based resources (IBRs). The increasing annual share of electricity from IBRs in a power system means that during more times of the year, the system will operate at a much higher concentration of IBRs. Figure 1 presents the hourly share of wind and solar generation in the Electric Reliability Council of Texas (ERCOT) system in Texas in 2019. While the annual wind share was at 20%, the instantaneous percentage share was much higher. Moments of high shares of IBRs (>50%) will continue to grow as more IBRs will be deployed in a power system.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2021

Estimation of micro-Hall-Petch coefficients for prismatic slip system in Mg-4Al as a function of grain boundary parameters

Grain size strengthening, referred to as the Hall-Petch effect, is a common strategy to improve the yield strength of magnesium (Mg) alloys. Several experimental studies have reported that the Hall-Petch slope strongly depends on the texture of the alloy. This effect arises from altering grain boundaries (GBs) resistance to different slip systems to transfer across adjacent grains. The grain boundary barrier strength of certain grain boundaries to basal slip, referred to as basal micro-Hall-Petch, was investigated in the previous work. Here in this study, the micro-Hall-Petch coefficient values for the prismatic slip $(k^{prismatic}_{μ})$ in Mg-4Al and their correlation with the grain boundary parameters were investigated. An experimental method was developed to initiate the prismatic slip band at low-stress levels. High-resolution electron backscatter diffraction (HR-EBSD) was used to measure the residual stress tensor, from which the resolved shear stress ahead of blocked prismatic slip bands was computed for seven different grain boundaries. $(k^{prismatic}_{μ})$ values for each individual GB were calculated by coupling the stress profile information with a continuum dislocation pile-up model. The $(k^{prismatic}_{μ})$ values vary from 0.138 MPa.m 1/2 to 0.685 MPa. m 1/2 which are almost three times larger than the calculated values for the basal micro-Hall-Petch. The $(k^{prismatic}_{μ})$ values were correlated with the GB parameters, and a functional relationship depending on the two most effective angles, the angle between the traces of the slip planes on the GB plane ($\phi$) and the angle between incoming and outgoing slip directions (κ), was proposed to estimate the Hall-Petch barrier for prismatic slip system. The work provides coefficients that can be supplied as input to crystal plasticity models to couple the effect of texture and grain size effectively.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Nonadiabatic Excited-State Molecular Dynamics for Open-Shell Systems

Nonadiabatic Molecular Dynamics (NAMD) of excited states has been widely used in the simulation of photoinduced phenomena. However, the inability to treat bond breaking and forming processes with single-reference electronic structure methods limits their application in photochemistry for extended molecular systems. In this work, the extension of excited-state NAMD for open-shell systems is developed and implemented in the NEXMD software. We present the spin-unrestricted CIS and TDSCF formalism for the ground and excited states, analytical derivatives, and nonadiabatic derivative couplings for the respective potential energy surfaces. Next, this methodology is employed to study the photochemical reaction of three model molecules. The results demonstrate the advantage of the open-shell approach in modeling photochemical reactions, especially involving bond breaking processes. We find that the open-shell method lowers the reaction barrier at the bond-breaking limits resulting in larger calculated photochemical quantum yields compared to the respective closed-shell results. We also address problems related to spin contamination in the open-shell method, especially when molecular geometries are far from equilibrium.

36 MATERIALS SCIENCE↗

DOE OSTI2012

Setup Accuracy of the Novalis ExacTrac 6DOF System for Frameless Radiosurgery

Purpose: Stereotactic radiosurgery using frame-based positioning is a well-established technique for the treatment of benign and malignant lesions. By contrast, a new trend toward frameless systems using image-guided positioning techniques is gaining mainstream acceptance. This study was designed to measure the detection and positioning accuracy of the ExacTrac/Novalis Body (ET/NB) for rotations and to compare the accuracy of the frameless with the frame-based radiosurgery technique. Methods and Materials: A program was developed in house to rotate reference computed tomography images. The angles measured by the system were compared with the known rotations. The accuracy of ET/NB was evaluated with a head phantom with seven lead beads inserted, mounted on a treatment couch equipped with a robotic tilt module, and was measured with a digital water level and portal films. Multiple hidden target tests (HTT) were performed to measure the overall accuracy of the different positioning techniques for radiosurgery (i.e., frameless and frame-based with relocatable mask or invasive ring, respectively). Results: The ET/NB system can detect rotational setup errors with an average accuracy of 0.09 Degree-Sign (standard deviation [SD] 0.06 Degree-Sign ), 0.02 Degree-Sign (SD 0.07 Degree-Sign ), and 0.06 Degree-Sign (SD 0.14 Degree-Sign ) for longitudinal, lateral, and vertical rotations, respectively. The average positioning accuracy was 0.06 Degree-Sign (SD 0.04 Degree-Sign ), 0.08 Degree-Sign (SD 0.06 Degree-Sign ), and 0.08 Degree-Sign (SD 0.07 Degree-Sign ) for longitudinal, lateral and vertical rotations, respectively. The results of the HTT showed an overall three-dimensional accuracy of 0.76 mm (SD 0.46 mm) for the frameless technique, 0.87 mm (SD 0.44 mm) for the relocatable mask, and 1.19 mm (SD 0.45 mm) for the frame-based technique. Conclusions: The study showed high detection accuracy and a subdegree positioning accuracy. On the basis of phantom studies, the frameless technique showed comparable accuracy to the frame-based approach.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2024

Apparatuses and methods for optical code-delay reflectometry (OcoDR)

Apparatuses and methods for optical code-delay reflectometry (OCoDR) are disclosed. An apparatus includes a modulator, a receiver, and control circuitry. The modulator is configured to receive incident electromagnetic (EM) radiation at a substantially fixed frequency generated by one or more EM radiation sources. The incident EM radiation includes continuous-wave EM radiation. The modulator is configured to impart a sequence onto an amplitude, a phase, or both of the incident EM radiation to generate modulated EM radiation. The modulated EM radiation includes continuous-wave EM radiation. The receiver is configured to receive reference EM radiation. The receiver is also configured to receive reflected EM radiation from an optical system responsive to the modulated EM radiation and generate interfered EM radiation responsive to the reference EM radiation and the reflected EM radiation. The receiver is further configured to generate a continuous interferogram responsive to the interfered EM radiation.

Seeley, Ryan↗

DOE OSTI2016

Patient positioning in radiotherapy based on surface imaging using time of flight cameras

Purpose: To evaluate the patient positioning accuracy in radiotherapy using a stereo-time of flight (ToF)-camera system. Methods: A system using two ToF cameras was used to scan the surface of the patients in order to position them daily on the treatment couch. The obtained point clouds were registered to (a) detect translations applied to the table (intrafraction motion) and (b) predict the displacement to be applied in order to place the patient in its reference position (interfraction motion). The measures provided by this system were compared to the effectively applied translations. The authors analyzed 150 fractions including lung, pelvis/prostate, and head and neck cancer patients. Results: The authors obtained small absolute errors for displacement detection: 0.8 ± 0.7, 0.8 ± 0.7, and 0.7 ± 0.6 mm along the vertical, longitudinal, and lateral axes, respectively, and 0.8 ± 0.7 mm for the total norm displacement. Lung cancer patients presented the largest errors with a respective mean of 1.1 ± 0.9, 0.9 ± 0.9, and 0.8 ± 0.7 mm. Conclusions: The proposed stereo-ToF system allows for sufficient accuracy and faster patient repositioning in radiotherapy. Its capability to track the complete patient surface in real time could allow, in the future, not only for an accurate positioning but also a real time tracking of any patient intrafraction motion (translation, involuntary, and breathing).

60 APPLIED LIFE SCIENCES↗

DOE OSTI2018

Cyberknife stereotactic radiosurgery and radiation therapy treatment planning system

CyberKnife is an image-guided stereotactical dose delivery system designed for both focal irradiation and radiation therapy (SRT). Focal irradiation refers the use of many small beams to deliver highly focus dose to a small target region in a few fractions. The system consists of a 6-MV linac mounted to a robotic arm, coupled with a digital x-ray imaging system. The radiation dose is delivered using many beams oriented at a number of defined or nodal positions around the patients. The CyberKnife can be used for both intracranial and extracranial treaments unlike the Gamma Knife which is limited to intracranial cases. Multiplan (Accuray Inc., Sunnyvale, CA) is the treatment planning system developed to cooperate with this accurate and versatile SRS and SRT system, and exploit the full function of Cyberknife in high-precision radiosurgery and therapy. Optimized inverse treatment plan can be achieved by fine-tuning contours and planning parameters. Precision is the newest version of Cyberknife treatment planning system (TPS) and an upgrade to Multiplan. It offers several new features such as Monte Carlo for multileaf collimator (MLC) and retreatment for other modalities that added more support for the Cyberknife system. The Cybeknife TPS is an easy-to-use and versatile inverse planning platform, suitable for stereotactic radiosurgery and radiation therapy. The knowledge and experience of the planner in this TPS is essential to improve the quality of patient care.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2018

Reduced scaling CASPT2 using supporting subspaces and tensor hyper-contraction

Here, we present a reduced scaling formulation of the state specific complete active space second-order perturbation method (CASPT2) requiring O( N 4 ) operations and O( N 2 ) memory for a fixed active space, where N is proportional to system size. Motivated by the properties of the Kronecker sum, we introduce the supporting subspace technique (SST), which decomposes the CASPT2 linear equations into two parts: a single-reference MP2 energy term using dressed orbitals, plus a reduced linear system with dimension scaling as O( N 2 ). Together with Laplace quadrature, the SST allows us to reformulate CASPT2 using a MP2 energy computation and Fock builds. By further applying the tensor hyper-contraction (THC) approximation, the MP2-like term can be computed with O( N 4 ) operations, and the remainder can be solved with O( N 3 ) operations using the preconditioned conjugate gradient method. This is the first application of THC in the context of multi-reference methods. We also developed an efficient implementation of the method by utilizing graphical processing units and exploiting spatial sparsity in tensor operations. We benchmark the accuracy of the new method against conventional CASPT2 for reactions in the gas phase. We apply the new method to Menshutkin S N 2 reactions in carbon nanotubes, demonstrating the feasibility of CASPT2 calculations with O(100) atoms.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2021

Empirical Evaluation of GPS Clock Accuracy for Isochronous Droop-based Inverters

Grid-forming inverters rely upon an internal reference to regulate the grid 's voltage and frequency. Without a reliable reference, issues such as loss of synchronism, frequency instability, and unequal power sharing can occur. One proposed internal phase reference for grid-forming inverters is generated by the controller's clock, but this is affected by nonidealities in the crystal oscillator leading to time drift in the phase reference. To improve the controller's clock accuracy, the Global Positioning System (GPS) can be used to calibrate the internal clock. Previously, GPS-based clock calibration was explored theoretically and various methods were developed for mitigating frequency/phase drift at the power system level. This paper experimentally validates the direct performance of GPS time-calibration at the controller level and justifies its use in maintaining an accurate phase reference for droop-based grid-forming inverters.

clock drift↗

DOE OSTI2018

Microbial sensor system for the assessment of subsurface environments

A microbial sensor, system, and method that can be used to determine a chemical environment and/or substrate concentrations in anaerobic or aerobic environments, such as soils, sediments and ground waters, are disclosed. An exemplary system uses one or more (e.g., inert) measurement electrodes and a reference electrode. The reference electrode can include an electrode exposed to atmospheric oxygen (e.g., a cathode) or an electrode exposed to stable anaerobic or aerobic conditions. The exemplary microbial sensor system measures open-circuit voltage to characterize the chemical (oxidizing or reducing) environment and/or recovery voltage to measure substrate concentrations in the subsurface.

47 OTHER INSTRUMENTATION↗

DOE OSTI2020

Microbial sensor system for the assessment of subsurface environments

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Empirical Evaluation of GPS Clock Accuracy for Isochronous Droop-Based Inverters: Preprint

Grid-forming inverters rely upon an internal reference to regulate the grid’s voltage and frequency. Without a reliable reference, issues such as loss of synchronism, frequency instability, and unequal power sharing can occur. One proposed internal phase reference for grid-forming inverters is generated by the controller’s clock, but this is affected by nonidealities in the crystal oscillator leading to time drift in the phase reference. To improve the controller’s clock accuracy, the Global Positioning System (GPS) can be used to calibrate the internal clock. Previously, GPS-based clock calibration was explored theoretically and various methods were developed for mitigating frequency/phase drift at the power system level. This paper experimentally validates the direct performance of GPS time-calibration at the controller level and justifies its use in maintaining an accurate phase reference for droop-based grid-forming inverters.

clock drift↗

DOE OSTI2023

Microbial sensor system for the assessment of subsurface environments

Burge, Scott R.↗

DOE OSTI2014

Comparison of 2D and 3D gamma analyses

Purpose: As clinics begin to use 3D metrics for intensity-modulated radiation therapy (IMRT) quality assurance, it must be noted that these metrics will often produce results different from those produced by their 2D counterparts. 3D and 2D gamma analyses would be expected to produce different values, in part because of the different search space available. In the present investigation, the authors compared the results of 2D and 3D gamma analysis (where both datasets were generated in the same manner) for clinical treatment plans. Methods: Fifty IMRT plans were selected from the authors’ clinical database, and recalculated using Monte Carlo. Treatment planning system-calculated (“evaluated dose distributions”) and Monte Carlo-recalculated (“reference dose distributions”) dose distributions were compared using 2D and 3D gamma analysis. This analysis was performed using a variety of dose-difference (5%, 3%, 2%, and 1%) and distance-to-agreement (5, 3, 2, and 1 mm) acceptance criteria, low-dose thresholds (5%, 10%, and 15% of the prescription dose), and data grid sizes (1.0, 1.5, and 3.0 mm). Each comparison was evaluated to determine the average 2D and 3D gamma, lower 95th percentile gamma value, and percentage of pixels passing gamma. Results: The average gamma, lower 95th percentile gamma value, and percentage of passing pixels for each acceptance criterion demonstrated better agreement for 3D than for 2D analysis for every plan comparison. The average difference in the percentage of passing pixels between the 2D and 3D analyses with no low-dose threshold ranged from 0.9% to 2.1%. Similarly, using a low-dose threshold resulted in a difference between the mean 2D and 3D results, ranging from 0.8% to 1.5%. The authors observed no appreciable differences in gamma with changes in the data density (constant difference: 0.8% for 2D vs 3D). Conclusions: The authors found that 3D gamma analysis resulted in up to 2.9% more pixels passing than 2D analysis. It must be noted that clinical 2D versus 3D datasets may have additional differences—for example, if 2D measurements are made with a different dosimeter than 3D measurements. Factors such as inherent dosimeter differences may be an important additional consideration to the extra dimension of available data that was evaluated in this study.

61 RADIATION PROTECTION AND DOSIMETRY↗