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DOE OSTI2021

Automatically adaptive stabilized finite elements and continuation analysis for compaction banding in geomaterials

Under compressive creep, viscoplastic solids experiencing internal mass transfer processes can accommodate singular cnoidal wave solutions as material instabilities at the stationary wave limit. These instabilities appear when the loading rate is significantly faster than the material's capacity to diffusive internal perturbations, leading to localized failure features (e.g., cracks and compaction bands). These cnoidal waves, generally found in fluids, have strong nonlinearities that produce periodic patterns. Due to the singular nature of the solutions, the applicability of the theory is currently limited. Additionally, practical simulation tools require proper regularization to overcome the challenges that singularity induces. We focus on the numerical treatment of the governing equation using a nonlinear approach building on a recent adaptive stabilized finite element method. This automatic refinement method provides an error estimate that drives mesh adaptivity, a crucial feature for the problem at hand. We compare the performance of this adaptive strategy against analytical and standard finite element solutions. We then investigate the sensitivity of the diffusivity ratio, the parameter controlling the process, and identify multiple possible solutions with several stress peaks. We also show the evolution of the spacing between peaks for all solutions as a function of that parameter.

42 ENGINEERING↗

DOE OSTI2021

A synthetic promoter system for well-controlled protein expression with different carbon sources in Saccharomyces cerevisiae

Saccharomyces cerevisiae is an important synthetic biology chassis for microbial production of valuable molecules. Promoter engineering has been frequently applied to generate more synthetic promoters with a variety of defined characteristics in order to achieve a well-regulated genetic network for high production efficiency. Galactose-inducible (GAL) expression systems, composed of GAL promoters and multiple GAL regulators, have been widely used for protein overexpression and pathway construction in S. cerevisiae. However, the function of each element in synthetic promoters and how they interact with GAL regulators are not well known. Here, a library of synthetic GAL promoters demonstrate that upstream activating sequences (UASs) and core promoters have a synergistic relationship that determines the performance of each promoter under different carbon sources. We found that the strengths of synthetic GAL promoters could be fine-tuned by manipulating the sequence, number, and substitution of UASs. Core promoter replacement generated synthetic promoters with a twofold strength improvement compared with the GAL1 promoter under multiple different carbon sources in a strain with GAL1 and GAL80 engineering. These results represent an expansion of the classic GAL expression system with an increased dynamic range and a good tolerance of different carbon sources. In this study, the effect of each element on synthetic GAL promoters has been evaluated and a series of well-controlled synthetic promoters are constructed. By studying the interaction of synthetic promoters and GAL regulators, synthetic promoters with an increased dynamic range under different carbon sources are created.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

Computationally Efficient Control Co-Design Optimization Framework with Mixed-Fidelity Fluid and Structure Analysis: OpenTurbineCoDe (OTCD) - ARPA-E ATLANTIS Phase I Project (Final Technical Report)

The goal of the Department of Energy (DOE) Advanced Research Projects Agency-Energy (ARPA-E) Aerodynamic Turbines Lighter and Afloat with Nautical Technologies and Integrated Servo-control (ATLANTIS) Program is to develop new technologies for floating offshore wind turbines, or wind farms, using the discipline of control co-design (CCD.) In this context, our goal is to develop a computationally efficient optimization framework for design of floating offshore wind turbines. Our specific aim is to utilize high-fidelity structural, aerodynamic, aero-structural tools, and to derive control-oriented reduced- or low-order models directly from the high-fidelity tools. We proposed a mixed-fidelity modeling approach which means that we are also using low- and mid-fidelity tools when necessary. This research is conducted by a multidisciplinary team consisting of Rutgers University, University of Michigan, Brigham Young University, and the National Renewable Energy Laboratory (NREL). The computational framework, called OpenTurbineCoDe, is designed to integrate, where possible, traditional structural, aerodynamic, aeroelastic models (e.g., OpenFAST) and advanced control algorithms with higher fidelity simulation tools including Reynolds-averaged Navier–Stokes (RANS) solvers, and three-dimensional structural finite element solvers. All the high-fidelity tools used in this research provide numerically exact gradients to facilitate both efficient optimization and local linearization for control implementation.

17 WIND ENERGY↗

DOE OSTI2020

Unraveling the Effects of Melt–Mantle Interactions on the Gold Fertility of Magmas

The oxidation state of the Earth’s mantle and its partial melting products exert a key control on the behavior and distribution of sulfur and chalcophile and siderophile elements between the mantle and crust, underpinning models of ore deposit formation. Whether the oxidized nature of magmas is inherited from the asthenospheric mantle source or acquired during ascent and differentiation is vigorously debated, limiting our understanding of the mechanisms of extraction of sulfur and metals from the mantle. Here, we focused on the redox-sensitive behavior of sulfur in apatite crystallized from quenched alkaline basaltic melts preserved within a peridotite xenolith from the El Deseado Massif auriferous province in southern Patagonia. We took advantage of this unique setting to elucidate the redox evolution of melts during their ascent through the subcontinental lithospheric mantle (SCLM) and grasp the inner workings of the Earth’s mantle during gold metallogenesis. Our data reveal that an initially reduced silicate melt (ΔFMQ -2.2 to -1.2) was oxidized to ΔFMQ between 0 and 1.2 during percolation and interaction with the surrounding peridotite wall-rock (ΔFMQ 0 to +0.8). This process triggered changes in sulfur speciation and solubility in the silicate melt, boosting the potential of the melt to scavenge ore metals such as gold. We suggest that large redox gradients resulting from the interaction between ascending melts and the surrounding mantle can potentially modify the oxidation state of primitive melts and enhance their metallogenic fertility. Among other factors including an enriched metal source and favorable geodynamic conditions, redox gradients in the mantle may exert a first-order control on the global-scale localization of crustal provinces endowed with gold deposits.

58 GEOSCIENCES↗

DOE OSTI2024

Measurement of Stability Diagram at IOTA at Fermilab

Nonlinear focusing elements can enhance the stability of particle beams in high-energy colliders by means of Landau Damping, through the tune spread which is introduced. We propose an experiment at Fermilab’s Integrable Optics Test Accelerator (IOTA) to investigate the influence of nonlinear focusing elements on the transverse stability of the beam. In this experiment, we employ an anti-damper, an active transverse feedback system, as a controlled mechanism to induce coherent beam instability. By utilizing the anti-damper, we can examine the impact of the nonlinear focusing element on the beam’s transverse stability. The stability diagram, a tool used to determine the system’s stability, will be measured using a recently demonstrated method at the LHC. This measurement is carried out experimentally by selecting specific threshold gains and measuring them for a range of phases. The stability diagram is represented by gei¿ on the complex plane. The experiment at IOTA adds insight towards the stability diagram measurement method by supplying a reduced machine impedance, to investigate the impedance’s effect on the stability diagram, as well as a larger range of phase measurements.

43 PARTICLE ACCELERATORS↗

DOE OSTI2020

Resilient Autonomous Wind Farms

With the advent of an increasing number of control strategies that seek to optimize wind turbine performance on a farm level, taking into account individual wind turbine information to achieve wind-farm-level objectives has become an increasingly important goal. Methods for controlling wind turbines on an individual and farm level have experienced significant development, and an abundance of new implementations for gathering and using data from turbines have created potential for novel control mechanisms that can further optimize the performance and delivery characteristics of a wind farm. A key element of making these wind farms more efficient is to develop reliable algorithms that use local sensor information that is already being collected, such as from local meteorological stations, nearby radars, sodars, and lidars, and supervisory control and data acquisition (SCADA) data. Making use of information from all wind turbines in a wind farm can enable such approaches as determining the atmospheric conditions across the farm, improving fault-finding, and ensuring more efficient overall control of farmwide optimizations through mechanisms such as wake steering. However, these approaches typically involve a centralized communications and control center. In order to ensure the resilient operation of the farm, it is necessary to develop an approach that distributes the calculation and communication amongst multiple nodes throughout the farm. In this fashion, a redundant, robust, and secure network can be created, which can tolerate faults in calculation, communication, and even external attacks that seek to disrupt the operation of the wind farm. This paper introduces the use of the Raft-Byzantine-Fault-Tolerant algorithm in the implementation of autonomous control of a wind farm. This implementation will allow for fault tolerance for malfunctioning nodes, sensors, transmitters, and connectors. This approach is equally extensible to account for malicious actors. It will...

fault tolerance↗

DOE OSTI2024

Batch Extraction Studies to Evaluate Trace Element Behavior in PUREX Conditions

The multilab Intentional Forensics Venture is working to identify which stable elements (i.e., taggants) at trace concentrations relative to U would persist throughout the nuclear fuel cycle in a voluntary fuel tagging scheme. A taggant would provide the nuclear forensics community with a “barcode” to help identify nuclear materials found outside of regulatory control. A portion of this project was focused on reprocessing effects and determining which, if any, elements would coextract with U(VI) in standard Pu–U reduction extraction (PUREX) conditions. Elements with a propensity to coextract could, in theory, be used as taggants from a PUREX perspective. Although retention is not a performance requirement, the taggant signature would need to partition predictably from the U stream after the PUREX process to maintain forensic utility. This report documents results from several batch extraction studies with numerous trace elements from HNO 3 (1.5–5 M), with and without U(VI), into 30% tri-n-butyl phosphate (TBP) in kerosene. Extraction and back-extraction tests were used to evaluate nearly 60 elements in surrogate conditions for PUREX, and distribution coefficients (i.e., D-values) for most species were <0.1, indicating few species are likely to co-extract with U through PUREX. Additional studies are needed to optimize sample volumes and dilutions to dial in these low D-values. The D-values (D) were determined for several of the more promising elements, including Re and Se. Ultimately, we conclude that only a limited number of the ~ 60 elements investigated are extractable in the U stream of PUREX, based on measured D values, meaning most candidate elemental taggants would likely be lost at this stage of the nuclear fuel cycle, even when considering a range of acid concentrations.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2024

Software and Firmware-logic Design for the PIP-II Machine Protection System Mode and Configuration Control at Fermilab

The PIP-II Machine Protection System (MPS) requires a dedicated set of tools for configuration control and management of the machine modes and beam modes of the accelerator. The protection system reacts to signals from various elements of the machine according to rules established in a setup database in the form of a Look-Up-Table filtered by the program Mode Controller. This is achieved in accordance with commands from the operator and governed by the firmware logic of the MPS. This paper describes the architecture, firmware logic, and implementation of the program mode controller.

43 PARTICLE ACCELERATORS↗

DOE OSTI2025

The CO2 mineralization potential of New Mexico basalts and associated critical element behavior and mobility.

This presentation reports on laboratory experiments assessing the carbon dioxide (CO₂) mineralization potential of New Mexico basalts, including trachybasalt and basalt lithologies. Using simulated groundwater and controlled conditions, the study evaluates the kinetics of CO₂ sequestration, mineral saturation indices, and secondary mineral formation. It also investigates the mobility of critical and trace elements such as Ni, Zn, Cu, and Li during basalt dissolution. Results indicate that New Mexico basalts can effectively sequester CO₂ through carbonate formation, with grain size and mineral composition influencing reaction rates and elemental behavior. These findings support the viability of geologic carbon storage in mafic volcanic terrains and inform strategies for critical element recovery.

36 MATERIALS SCIENCE↗

DOE OSTI2025

An Adaptive Newton-Based Free-Boundary Grad–Shafranov Solver

Equilibria in magnetic confinement devices result from force balancing between the Lorentz force and the plasma pressure gradient. In an axisymmetric configuration like a tokamak, such an equilibrium is described by an elliptic equation for the poloidal magnetic flux, commonly known as the Grad–Shafranov equation. It is challenging to develop a scalable and accurate free-boundary Grad–Shafranov solver, since it is a fully nonlinear optimization problem that simultaneously solves for the magnetic field coil current outside the plasma to control the plasma shape. In this work, we develop a Newton-based free-boundary Grad–Shafranov solver using adaptive finite elements and preconditioning strategies. The free-boundary interaction leads to the evaluation of a domain-dependent nonlinear form of which its contribution to the Jacobian matrix is achieved through shape calculus. The optimization problem aims to minimize the distance between the plasma boundary and specified control points while satisfying two nontrivial constraints, which correspond to the nonlinear finite element discretization of the Grad–Shafranov equation and a constraint on the total plasma current involving a nonlocal coupling term. The linear system is solved by a block factorization, and AMG is called for subblock elliptic operators. The unique contributions of this work include the treatment of a global constraint, preconditioning strategies, nonlocal reformulation, and the implementation of adaptive finite elements. Furthermore, it is found that the resulting Newton solver is robust, successfully reducing the nonlinear residual to 1e-6 and lower in a small handful of iterations while addressing the challenging case to find a Taylor state equilibrium where conventional Picard-based solvers fail to converge.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Measurement of stability diagrams in the IOTA ring at Fermilab

Nonlinear focusing elements can enhance the stability of particle beams in high-energy colliders through Landau Damping, by means of the tune spread which is introduced. Here we discuss an experiment at Fermilab's Integrable Optics Test Accelerator (IOTA) which investigates the influence of nonlinear focusing elements, such as octupoles, on the beam’s transverse stability. In this experiment, we employ an anti-damper, an active transverse feedback system, as a controlled mechanism to induce coherent beam instability. By utilizing the anti-damper we can examine the impact of a nonlinear focusing element on the beam's transverse stability. The stability diagram, a tool used to determine the system's stability, is measured using a recently demonstrated method at the LHC. The experiment at IOTA adds insight towards this stability diagram measurement method by supplying a reduced machine impedance to investigate the machine impedance’s effect on the stability diagram, as well as by aiming to map out the full stability diagram by using a large phase range of the anti-damper. From this experiment in IOTA, we present the first results of stability diagram analysis with varying octupole currents.

43 PARTICLE ACCELERATORS↗

DOE OSTI2023

1:70-Scale Model Testing of the Reference OpenSource Controller (ROSCO) on the IEA-Wind 15MW Reference Wind Turbine Including Floating Feedback: Preprint

This paper presents results from the Floating Offshore-wind Controls Advanced Laboratory (FOCAL) Experimental campaign performed at the University of Maine's (UMaine's) Harold Alfond Wind/Wave Ocean Engineering Laboratory (W2). The project involves four Froude-scaled test campaigns considering the International Energy Agency (IEA) Wind 15MW Reference Wind Turbine deployed on the VolturnUS-S semi-submersible platform with tuned-mass damper (TMD) elements in the hull. The turbine employs real-time rotor torque and blade pitch control through the Reference OpenSource Controller (ROSCO), including the additional control strategies of ROSCO's thrust peak shaving and a floating feedback control loop. Results with the floating feedback control are considered in this paper and show a significant reduction in platform pitch motion and loads around the platform pitch natural frequency with minimal negative impact of rotor power quality.

controls↗

DOE OSTI2023

Atomic Diffusion, Segregation, and Grain Boundary Migration in Nickel-Based Alloys from Molecular Dynamics Simulations

Grain boundary diffusion and metal mobility in alloys control material performance in many applications and yet remain poorly understood at a mechanistic level. With advances in accessible time and length scales for computational molecular simulations, and recent force field developments, we now possess tools to help unravel those mechanisms. Using large-scale molecular dynamics simulations, here we examined vacancy-mediated diffusion processes in Ni-5Cr alloy with low and high-energy grain boundaries. We show that atomic diffusion inside the grain boundary plane is about four times higher than bulk diffusion, at any temperature, and exhibits a typical Arrhenius behavior with a very small energy barrier (0~.8 eV for Cr and 0.7 eV for Ni within 1300-1600 K). Additionally, the fastest diffusing species inverts; Cr diffusion was faster than Ni in the bulk but slower in the grain boundaries. This is attributed to the creation of high cohesive energy clusters of Cr at the grain boundary. Grain boundary migration was also observed to be temperature dependent and appears to be two times higher in the 5% Cr alloy than in pure Ni, highlighting the important role of the alloying element on grain boundary motion.

Simonnin, Pauline GN↗

DOE OSTI2021

Applications of Strain-Coupled Magnetoelectric Composites

This article deals with research, development and future directions of magnetoelectric composites for practical devices applications. In the past 20 years there has been a surge of research in the area of multiferroics (MF) and magnetoelectrics (ME) due to their potential to replace existing technologies based only on ferroelectric or ferromagnetic materials. Some of the magnetoelectric composites show exceptionally high potential in the area of magnetic field sensors, however, work remains before commercialization can be realized. The cross coupling among various ferroic parameters in magnetoelectric composites is several orders higher than single phase magetoelectrics, which make its favorable for low detection (nT or pT) magnetic field sensors. Advances in both layered structures or controlled three-dimensional matrix composites for applications as magnetoelectric nonvolatile memory elements are both required. Robust cross-coupling among various parameters with more than four logic states and its compatibility with complementary-symmetry metal–oxide–semiconductor (CMOS) technology are the main requirements for heterostructure magnetoelectric thin films. The major hurdles in the area of magnetoelectric nonvolatile memory elements are poor interfacial properties and weak magnetoelectric coupling for high density fast read and write processes. Another potential area is strained coupled magneto-electric composites where magnetostriction mediated dimensional change in the magnetic layer effectively modulate the change in the dimension of piezoelectric layers via piezostriction, which leads to a strong ME coupling where their coupling magnitude is sufficient for magnetic field sensors. Energy harvesters based on magnetoelectric composites are also intriguing concepts to capture various types of waste energy, in the form mechanical vibration, pressure, wind energy, hydrothermal and waste temperature.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Three-dimensional electronic scaffolds for monitoring and regulation of multifunctional hybrid tissues

Recently, the integration of electronic elements with cellular scaffolds has brought forth the ability to monitor and control tissue function actively by using flexible free-standing two-dimensional (2D) systems. Capabilities for electrically probing complex, physicochemical and biological three-dimensional (3D) microenvironments demand, however, 3D electronic scaffolds with well-controlled geometries and functional-component distributions. This work presents the development of flexible 3D electronic scaffolds with precisely defined dimensions and microelectrode configurations formed using a process that relies on geometric transformation of 2D precursors by compressive buckling. It demonstrates a capability to fabricate these constructs in diverse 3D architectures and/or electrode distributions aimed at achieving an enhanced level of control and regulation of tissue function relatively to that of other approaches. In addition, this work presents the integration of these 3D electronic scaffolds within engineered 3D cardiac tissues, for monitoring of tissue function, controlling tissue contraction through electrical stimulation, and initiating on-demand, local release of drugs, each through well-defined volumetric spaces. These ideas provide opportunities in fields ranging from in vitro drug development to in vivo tissue repair and many others.

3D electronic scaffolds↗

DOE OSTI2021

The 3D printing and modeling of functionally graded Kelvin foams for controlling crushing performance

Mechanical impact protection is an important consideration in many applications, ranging from product transportation to sports. Cellular materials are typically used due to their desirable energy absorption properties and light weight. However, their large deformation and rate dependent responses (especially of polymer foams) are challenging to consider in design. Additionally, the use of foams with uniform properties, such as uniform density and uniform stiffness, often restricts the designed foams to only be suitable for a narrow range of mechanical impact conditions whereas real applications commonly face unpredictable situations. 3D printing offers fabrication flexibility and thus opens the door to create foams with tailored properties. In this work, we investigate the feasibility of using 3D printing for functionally graded foams (FGFs) that are optimal over a broad range of mechanical environments. The foams are fabricated by the recently developed grayscale digital light processing (g-DLP) method which can print parts with locally designed properties. These foams are tested under drop test conditions and with slower displacement control. We also model the large deformation behavior of FGFs using finite element analysis in which we account for the different viscoelastic behaviors of the distinct grayscale regions. We then use the model to examine the impact mitigation capabilities of FGFs in different loading scenarios. Finally, we show how FGFs can be used to satisfy real-world design goals using the case study of a motorcycle helmet. In contrast to prior work, we investigate continuous, functionally graded foams of a single density that differ in their viscoelastic responses. This work provides further insight into the benefits of viscoelastic properties and modulus graded foams and presents a manufacturing approach that can be used to produce the next generation of flexible lattice foams as mechanical absorbers.

3D printing↗

DOE OSTI2023

Gallium isotopic constraints for the origin of the Earth-Moon system

Comparatively heavy isotopic compositions of moderately volatile elements (MVE) in lunar rocks have been advocated to reflect the loss of light isotopes during devolatilization processes from the Moon. In this study we present new gallium (Ga) isotope data for lunar highland rocks, with a focus on the Ferroan Anorthosite Suite (FAS). These are commonly thought to be direct crystallization products from the late lunar magma ocean (LMO) and should contain the majority of the Ga inventory of the Moon. As such, FAS rocks are crucial for identifying the processes that drove Ga isotope fractionation as well as for inferring the Ga isotopic composition of the bulk Moon. Our data reveal that FAS samples have a range in δ 71 Ga from -0.27 to 0.22‰ and are generally isotopically light in Ga compared to other lunar lithologies, but straddle values typical of terrestrial rocks. Although Ga is defined as an MVE, these Ga isotope variations do not correspond with concentrations of more volatile elements, indicating that Ga isotope variations in the FAS are not primarily controlled by devolatilization processes. Instead, the Ga isotopic compositions of bulk FAS rocks broadly correlate with the composition of plagioclase, with the calcium content of plagioclase decreasing as Ga becomes isotopically heavier. This suggests that fractionation of Ga isotopes in FAS rocks was caused by the preferential incorporation of isotopically light Ga into plagioclase during the later solidification stages of the LMO. The progressive crystallization and extraction of plagioclase forces the residual melt towards increasingly heavier Ga isotope ratios, corroborating similar conclusions derived from correlations between δ 71 and Eu* in the mare basalt suite. Using Ga isotope partitioning calculations, we demonstrate that an isotope fractionation coefficient between plagioclase and coexisting melt of -0.3 to -0.4‰ could explain the observed range of δ 71 values in FAS, mare basalt suite rocks, and KREEP. These calculations allow for a first order estimate of the Ga isotopic composition of the bulk silicate Moon prior to plagioclase fractionation and suggest it was close to the composition of the bulk silicate Earth. This would imply that the Moon did not lose a substantial fraction of its Ga inventory during accretion, consistent with new constraints from Rb-Sr isotope systematics that indicate the Moon's volatile deficit was primarily inherited from Theia. In conjunction with the overlap in non-mass-dependent isotope ratios, these collective observations could be reconciled if Theia and the proto-Earth formed in similar regions of the inner Solar System that were already volatile-depleted.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Annealing-Driven Phase Control Enables Plasmonic Tunability in Alloy Nanoparticles

A critical aspect of designing and realizing useful solid state materials is controlling phase and structure to tailor physical properties. While common for semiconductor and quantum materials, plasmonic materials have inhabited a narrow phase space typically comprising one or two elements, e.g., face-centered cubic metals. While this simplicity has enabled robust use and understanding of Au and Ag nanoparticles, it has also limited the design and manipulation of solid state properties. Here, we show that by tuning the phase and elemental composition of binary Au−Sn nanoparticles, the steady-state absorbance and ultrafast thermalization properties of plasmonic nanoparticles can be controlled. Solid state characterization suggests this is due to the dealloying of Sn and destabilization of the AuSn phase, leading to higher quality Au 5 Sn intermetallic phases alongside Au. Consequently, this work shows that phase control can profoundly influence the properties of plasmonic nanoparticles, providing important tunability for applications in catalysis, photothermal heating, and sensing.

Gold↗