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At least 235 records · Page 13

Strain-stabilized interfacial polarization tunes work function over 1 eV in RuO 2 /TiO 2 heterostructures

Interfacial polarization – charge accumulation at the heterointerface – is a well-established tool in semiconductors, but its influence in metals remains unexplored. Here, we demonstrate that interfacial polarization can robustly modulate surface work function in metallic rutile RuO 2 layers in epitaxial RuO 2 /TiO 2 heterostructures grown by hybrid molecular beam epitaxy. Using multislice electron ptychography, we directly visualize polar displacements of transition metal ions relative to oxygen octahedra near the interface, despite the conductive nature of RuO 2 . This interfacial polarization enables over 1 eV modulation of the RuO 2 work function, controlled by small thickness variations (2-3 nm), as measured by Kelvin probe force microscopy, with a critical thickness of ~4 nm – corresponding to the transition from fully-strained to relaxed film. These results establish interfacial polarization as a powerful route to control electronic properties in metals and have implications for designing tunable electronic, catalytic, and quantum devices through interfacial control in polar metallic systems.

Electronic properties and materials↗

Nanoscale control of LaAlO 3 /SrTiO 3 conductance beyond the polar catastrophe

Conductive atomic force microscope (c-AFM) lithography can be utilized to create a wide range of LaAlO 3 /SrTiO 3 (LAO/STO)-based nanoelectronic devices in a reconfigurable manner. Experiments were generally performed with intrinsically insulating LAO/STO heterostructures, with LAO thickness less than the critical value at which a polar catastrophe takes place [<4 unit cell (u.c.)]. Here, we use inductively coupled plasma reactive ion etching (ICPRIE) to fabricate c-AFM “canvases” on intrinsically conducting LAO/STO samples with ≥4 u.c. LAO. We observe that its interfacial two-dimensional electron gas (2DEG) can be pinched off and then switched back on by c-AFM lithography. Nanowires created with initially conductive LAO/STO interfaces have an order-of-magnitude longer lifetime in ambient conditions, when compared to an identically created 3.4 u.c. LAO/STO nanowire. We also demonstrate key nanoscale properties such as ballistic transport in a quasi-one-dimensional electron waveguide at a 5 u.c. LAO/STO interface. This approach frees c-AFM-written nanodevice designs from time constraints in air associated with <4 u.c. LAO/STO heterostructures.

36 MATERIALS SCIENCE↗

Cycloidal wave energy converter using fixed differential buoyancy to control operating torques

A floating mooring system for a single CycWEC applies counter forces and torques to keep a generator suitably stationary for power generation without requiring fixed attachments to the ocean floor or requiring a large frame interconnecting multiple CycWECs. The mooring system uses floats or floatation structure with differential ballasting to counter operating torque and drag plates to counter reactive forces. The floatation structures may be used to float the CycWEC for transport to a deployment location, where changing the overall ballasting of the floatation structures submerges the CycWEC to a desired depth and differential ballasting in the floatation structures counts expected operating torques.

Siegel, Stefan G.↗

AFM Microcantilever With a Collocated AlN Sensor-Actuator Pair: Enabling Efficient Q-Control for Dynamic Imaging

This manuscript presents a novel microcantilever with an embedded piezoelectric sensor-actuator pair for dynamic atomic force microscopy (AFM). The transducer pair is constructed from a two-layered AlN stack. Stacking the piezoelectric transducers in this manner leads to a minimal feedthrough from actuation to sense electrode, granting a high dynamic range frequency response for dynamic mode AFM. The cantilever's design allows for dual mode operation at 1 st and 2 nd resonance modes. High resolution tapping mode imaging results are reported, while the cantilever is operated at these modes. A feedback control loop is used to modify quality factor of the 1 st mode of the cantilever, using a positive position feedback (PPF) controller. Here, a faster response time is achieved by reducing the Q-factor, enabling the cantilever to track the topography at a higher scan rate. Results of bimodal AFM imaging are reported, using amplitude changes of the 1 st mode for surface topography, while material properties are encoded in phase changes of the 2 nd mode.

47 OTHER INSTRUMENTATION↗

Wave Tank Testing Report for Controls Validation of a Heaving Point Absorber

The core objectives of this project is to improve the power capture of three different wave energy conversion (WEC) devices by more than 50% using an advanced control system and validate the attained improvements using wave tank and full scale testing. In parallel, we will bring along the development of a wave prediction system that is required to enable effective control and test it at full scale. The purposes of this report are to: 1. Plan and document the 1/25th scale device testing at the wave-tank facility; 2. Document the test article, setup and methodology, sensor and instrumentation, mooring, electronics, wiring, and data flow and quality assurance; 3. Communicate the testing results between the associated members; 4. Facilitate reviews that will help to ensure all aspects (risk, safety, testing procedures, etc.); 5. Provide a systematic guide to setting up, executing and decommissioning the experiment.

16 TIDAL AND WAVE POWER↗

Demonstrate FARM supervisory capabilities for a thermal energy storage problem for the DETAIL facility: IES Simulation Ecosystem Control System Development

The goal of the power dispatch problem for an Integrated Energy System (IES) is to adjust the power output and the heat flow of each component to maximize the profitability of the whole unit. Facilities that can integrate real-time digital signals, mock nuclear power, thermal energy storage and industrial heat use via high-temperature electrolysis were constructed at INL to support the research activities. The Dynamic Energy Technology and Integration Laboratory (DETAIL) houses the Microreactor Agile Non-nuclear Experimental Test Bed (MAGNET) and the Thermal Energy Distribution System (TEDS). In this report, the hierarchical control system architecture proposed in June 2023 milestone for the flexible operation of DETAIL facility is finalized and demonstrated. A brief description of the components and the corresponding Dymola models from the HYRBID repository is first provided. Then, the current control strategy is presented. In particular, the approach for generating the set-point trajectories to be fed to the PI controllers is analyzed, and its limits were identified. To preserve safe operation over both long-time and real-time horizons, the integration of a Supervisory Control layer embedding a modified version of FARM (Feasible Actuator Range Modifier) module is proposed. FARM is a component of the RAVEN-based FORCE framework designed to support HERON module at optimizing the operation of IES units. The proposed control system for DETAIL foresees FARM to be applied twice, i.e., the original version (“FARM-Validator”) aiding the solution of the power dispatch problem, and a modified version (“FARM-Supervisory”) coordinating the PID controllers. Despite the kernel of the two modules is the same, their tasks are quite different. The former intervenes at the beginning of each hour to prevent constraint violations over long time periods, the latter addresses real-time control tasks and monitors the response of constrained variables at a much finer time resolution. A tentative procedure for training the embedded Digital Twins with the experimental data is also proposed. Finally, the capabilities of the designed architecture and the impact of the added Supervisory Control layer are demonstrated by simulating a representative power dispatch scenario.

25 ENERGY STORAGE↗

Salt Vessel-Sample Generator Interface

The goal of the salt sampling program at Argonne is to develop and deploy automated molten salt sampling approaches for interfacing relevant unit operations with salt analysis to improve the timeliness and accuracy of sampling-based accountancy measurements. One technology under development is a vacuum sampler loop module. In this system, molten salt is drawn from a process vessel through a heated sampling line and into a charge vessel. Next, one or more samples are split from the volume in the charge vessel and the remaining salt is returned to the process. The vacuum sampler loop module is being developed to interface with other sample processing and analysis modules to enable rapid at-line sample characterization. The main purpose of the vacuum sampling loop module is to enable the collection of samples that are more representative of the bulk salt by replacing traditional point samplers (i.e., dip probes) with a sampling approach that captures a larger cross section of salt. Additionally, the vacuum sampling approach eliminates the risk of dross contamination of samples and avoids the use of moving parts in the salt. Two methods of interfacing the vacuum sampling loop with a precision pneumatic sample generator were investigated in FY21. This report covers the testing of fluidic coupling between the two modules. Two iterations of the fluidically coupled modules were tested. The first iteration system coupled the two modules using a freeze valve to seal the vacuum sampler during filling and to control flow into the pneumatic sample generator. While this integrated system functioned as intended, some changes were implemented to make the system more robust and better suited to remote deployment. Specifically, the system was made to be more modular and active control of the vacuum filling operation was replaced with a passive control mechanism. For passive filling, the salt charge vessel was vented to a small gas tank that was at negative pressure, causing salt to be drawn into the vessel until the force of the fluid head was in equilibrium with the gas pressure. The passive control system performed well and will be used in future iterations. Another change in the second system was a newly configured pneumatic sample generator in which sample ejection occurred through a hole in the reservoir’s stainless-steel side wall instead of through a non-wetted sapphire orifice on the bottom. This alternate configuration may be better suited for near-process deployment because it enables on-line orifice maintenance and an orifice bypass drain back to the process. A third change in the second iteration system was the transition to a two-chamber charge vessel which split off a fraction of the sampled salt as a liquid aliquot. The goal was to create a buffer mechanism that would allow reproducible aliquoting of samples, independently of variability in the charge vessel fill height. While the two-chamber design was functional, the sample size reproducibility was below target values. To improve reproducibility and overcome many of the impediments to remote deployment of the vacuum sampling loop module, separate work was conducted to replace the two-chamber liquid aliquoting mechanism with aliquoting into single-use sample tubes. Solid salt transfer in the sample tubes will replace fluidic coupling for integrating the vacuum sampler with downstream modules. Because the proposed operations can all be executed with simple overhead actuation mechanisms or other existing hot-cell technology, there will be no need for large investments in novel hot cell sample handling technologies using this alternate approach. As such, near-term deployment of the vacuum sampling technology will be achievable. This new approach for automated coupling of sample tubes with down-stream modules is covered in a separate FY21 report, and a remotely operated version of the vacuum sampler loop module with the tube aliquoting feature is planned for FY22.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Automated Experiments of Local Non–Linear Behavior in Ferroelectric Materials

An automated experiment in multimodal imaging to probe structural, chemical, and functional behaviors in complex materials and elucidate the dominant physical mechanisms that control device function is developed and implemented. Here, the emergence of non-linear electromechanical responses in piezoresponse force microscopy (PFM) is explored. Non-linear responses in PFM can originate from multiple mechanisms, including intrinsic material responses often controlled by domain structure, surface topography that affects the mechanical phenomena at the tip-surface junction, and the presence of surface contaminants. Using an automated experiment to probe the origins of non-linear behavior in ferroelectric lead titanate (PTO) and ferroelectric Al 0.93 B 0.07 N films, it is found that PTO shows asymmetric nonlinear behavior across a/c domain walls and a broadened high nonlinear response region around c/c domain walls. In contrast, for Al 0.93 B 0.07 N, well-poled regions show high linear piezoelectric responses, when paired with low non-linear responses regions that are multidomain show low linear responses and high nonlinear responses. It is shown that formulating dissimilar exploration strategies in deep kernel learning as alternative hypotheses allows for establishing the preponderant physical mechanisms behind the non-linear behaviors, suggesting that automated experiments can potentially discern between competing physical mechanisms. Furthermore, this technique can also be extended to electron, probe, and chemical imaging.

36 MATERIALS SCIENCE↗

New vortex‐lift and tangential‐force models for HAWT aerodynamic load prediction

Abstract Horizontal axis wind turbines (HAWTs) experience three‐dimensional rotational and unsteady aerodynamic phenomena at the rotor blades sections. These highly unsteady three‐dimensional effects have a dramatic impact on the aerodynamic load distributions on the blades, in particular, when they occur at high angles of attack due to stall delay and dynamic stall. Unfortunately, there is no complete understanding of the flow physics yet at these unsteady 3D flow conditions, and hence, the existing published theoretical models are often incapable of modelling the impact on the turbine response realistically. The purpose of this paper is to provide an insight on the combined influence of the stall delay and dynamic stall on the blade load history of wind turbines in controlled and uncontrolled conditions. New dynamic stall vortex and nonlinear tangential force coefficient modules, which integrally take into account the three dimensional rotational effect, are also proposed in this paper. This module along with the unsteady influence of turbulent wind speed and tower shadow is implemented in a blade element momentum (BEM) model to estimate the aerodynamic loads on a rotating blade more accurately. This work presents an important step to help modelling the combined influence of the stall delay and dynamic stall on the load history of the rotating wind turbine blades which is vital to have lighter turbine blades and improved wind turbine design systems.

Elgammi, Moutaz↗

Ultra High-Temperature Magnetic Bearing System for s-CO 2 Turbines/Expanders. Phase II Final Report

The goal of this project is to design and construct of a prototype of ultra-high temperature permanent magnet (UHT–PM), which provides the force to pull the spinning shaft towards the target position in the magnetic bearing (MB) clearance circle. This project will develop a PM biased MB system, that is actively cooled to the 550°C maximum operating temperature limit of PMs. The MB test environment will include 700°C, 40krpm and 4,000 psi requirements to advance the supercritical carbon dioxide (sCO 2 ) and other types of Brayton power cycle systems. The proposed novel MBs combine PMs for supplying the bias field and electromagnets for supplying the control field, both in UHT conditions. The choice of material is the UHT Sm-Co PMs (US patent 6,451,132) due to their significantly better thermal stability. The 6-pole homopolar design permits uninterrupted force delivery via a redundant control capability (US patent 7,429,811) even if 3 poles were to fail. The Phase I efforts was to focus on development and demonstration of component technologies and detailed design of full scale components and a demonstrator test rig for use in Phase II. UHT–PMs were produced and used in the MB actuator. The operating environment of the EEC-T550 Sm-Co magnet material could be extended by implementing active cooling. Electromagnetic coils imbedded in the MB provide forces to stabilize the shaft position at the target via sensing and control stages. Shaft position sensors enable to identify the present position of the spinning shaft relative to its desired target position in the MB clearance circle (air gap). Auxiliary bearings will be installed to provide a backup support system in the event that power to the MB fails or there is a fault in a device providing current to the MB coils. For control, reliability and safety reasons the sensors and auxiliary bearings are typically located as close as possible to the MBs, which exposes them to the same environmental conditions. Development of only the actuator for the UHT environment is an inadequate approach to complete integration of the MB system in the turbine/expander. Therefore the UHT sensor and auxiliary bearing were designed and developed along with the actively cooled, UHT-PM actuator development. Although shaft position sensors are commercially available (Kaman) they may cost up to $10k per channel, and a full 5 axis magnetic suspension is best implemented with up to 20 sensors. Once successfully completed, this project will significantly extend the operating environment capability for turbomachinery applications such as nuclear power, concentrated solar thermal, fossil fuel, geothermal, and shipboard propulsion. The further advancement of UHT-PM-MB will also strengthen the US position in PM technology, which is presently heavily dominated by China. The UHT Sm-Co magnet material that will be utilized in the proposed work has been developed exclusively by the project proposer. Many actuators, motors, generators and other MB applications will greatly benefit from the proposed work.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Scan‐Path‐ and Initial‐State‐Dependent Superdomain Switching in (111)‐Oriented PZT

Polarization switching in ferroelectric materials arises from the collective evolution of complex domain hierarchies, yet deterministic control over these processes remains challenging. Here, we investigate scan-path- and initial-state-dependent switching in epitaxial (111)-oriented PbZr 0.2 Ti 0.8 O 3 thin films using automated AFM-based writing combined with quantitative 3D piezoresponse force microscopy. We show that the scan trajectory acts as an experimentally accessible control parameter for superdomain formation. Box-in-box raster scans reproducibly stabilize ordered stripe superdomains with a reduced subset of symmetry-allowed variants, whereas spiral trajectories generate frustrated mixed-variant states with a broader distribution of final microstructures. Automated pulsing experiments further show that the local superdomain configuration at the nucleation site strongly influences the final written morphology. Phase-field modeling qualitatively reproduces the contrast between representative initial-state geometries and supports the role of compatibility constraints among competing ferroelastic pathways. These findings establish scan-path and initial-state engineering as practical handles to program ferroic order in hierarchical ferroelectric domain structures.

Vasudevan, Rama K. [Oak Ridge National Laboratory ↗

Tidal frequencies and quasiperiodic subsurface water level variations dominate redox dynamics in a salt marsh system

Salt marshes are hotspots of nutrient processing en route to sensitive coastal environments. Whilst our understanding of these systems has improved over the years, we still have limited knowledge of the spatiotemporal variability of critical biogeochemical drivers within salt marshes. Sea-level rise will continue to force change on salt marsh functioning, highlighting the urgency of filling this knowledge gap. Our study was conducted in a central California estuary experiencing extensive marsh drowning and relative sea-level rise, making it a model system for such an investigation. Here we instrumented three marsh positions subjected to different degrees of tidal inundation (6.7%, 8.9%, and 11.2% of the time for the upper, middle, and lower marsh positions, respectively), providing locations with varied biogeochemical characteristics and hydrological interactions at the site. We continuously monitored redox potential (Eh) at depths of 0.1, 0.3, and 0.5 m, subsurface water levels (WL), and temperature at 0.7 m depth at each marsh position. To understand how drivers of subsurface biogeochemical processes fluctuate across tidal cycles, we used wavelet analyses to explain the interactions between Eh and WL. We found that tidal forcing significantly affects key drivers of biogeochemical processes by imparting controls on Eh variability, likely driving subsurface hydro-biogeochemistry of the salt marsh. Wavelet coherence showed that the Eh-WL relationship is nonlinear, and their lead–lag relationship is variable. We found that precipitation events perturb Eh at depth over timescales of hours, even though WL shows relatively minimal change during events. Furthermore, this work highlights the importance of high frequency in situ measurements, such as Eh, to help explain factors that govern subsurface biogeochemistry and hydrological processes in salt marshes.

54 ENVIRONMENTAL SCIENCES↗

Evolution of AISI 304L stainless steel part properties due to powder recycling in laser powder-bed fusion

Selective laser melting (SLM) is a powder-bed fusion process in Additive Manufacturing (AM) that uses a laser beam to selectively fuse layers of powder into near net-shape components with little porosity. However, inconsistencies in the part properties due to the presence of defects in as-built components has hindered the widespread adoption of SLM for industrial applications forcing researchers to study the sources of variation for quality control purposes. A critical area suspected of creating variation in the part properties is the feedstock, where batch-to-batch differences as well as changes in the powder properties with reuse have the potential to affect performance. During processing, laser spatter and condensate eject from the melt pool and deposit into the powder-bed surrounding the parts. These particulates, more commonly known as ejecta, differ morphologically and chemically from the virgin powder compromising its reusability. In this study, 304L stainless steel powder was recycled for a total of 5 times through a systematic approach aimed at accelerating powder degradation to reveal the influence on both the tensile and impact toughness properties. Through analysis of variance (ANOVA), it was found that tensile properties did not change with reuse, while the impact toughness showed a steady decline illustrating the differences in static and dynamic part properties due to powder recycling.

36 MATERIALS SCIENCE↗

Ferroelectricity in hafnia controlled via surface electrochemical state

Ferroelectricity in binary oxides including hafnia and zirconia has riveted the attention of the scientific community due to the highly unconventional physical mechanisms and the potential for the integration of these materials into semiconductor workflows. Over the last decade, it has been argued that behaviours such as wake-up phenomena and an extreme sensitivity to electrode and processing conditions suggest that ferroelectricity in these materials is strongly influenced by other factors, including electrochemical boundary conditions and strain. Here we argue that the properties of these materials emerge due to the interplay between the bulk competition between ferroelectric and structural instabilities, similar to that in classical antiferroelectrics, coupled with non-local screening mediated by the finite density of states at surfaces and internal interfaces. Via the decoupling of electrochemical and electrostatic controls, realized via environmental and ultra-high vacuum piezoresponse force microscopy, we show that these materials demonstrate a rich spectrum of ferroic behaviours including partial-pressure-induced and temperature-induced transitions between ferroelectric and antiferroelectric behaviours. In conclusion, these behaviours are consistent with an antiferroionic model and suggest strategies for hafnia-based device optimization.

36 MATERIALS SCIENCE↗

Correlated nanoelectronics and the second quantum revolution

The growing field of correlated nanoelectronics exists at the intersection of two established fields: correlated oxide electronics and semiconductor nanoelectronics. The development of quantum technologies that exploit quantum coherence and entanglement for the purposes of computation, simulation, and sensing will require complex material properties to be controlled at nanoscale dimensions. Heterostructures and nanostructures formed at the interface between LaAlO 3 and SrTiO 3 exhibit striking behavior that arises from the ability to program the conductive behavior at extreme nanoscale dimensions. The active electronic layer, SrTiO 3 , exhibits a wide range of gate-tunable phenomena such as ferroelectricity, ferroelasticity, magnetism, superconductivity, and spin–orbit coupling, all of which can be controlled at the nanoscale using two reversible methods: conductive atomic force microscope lithography and ultra-low-voltage electron beam lithography. Mesoscopic devices such as single-electron transistors and quasi-one-dimensional electron waveguides can be “sketched” using these techniques, and the properties of these devices differ significantly from those created from traditional semiconductors, such as Si or GaAs. The strongly correlated nature of the SrTiO 3 system is evident from superconducting behavior as well as a state in which electrons are paired outside the superconducting state. A highly exotic phase was discovered in which a degenerate quantum liquid is formed from bound states of n = 2, 3, 4, … electrons. Further development of correlated nanoelectronics based on the LaAlO 3 /SrTiO 3 system can potentially lead to a general platform for quantum simulation as well as a pathway for the development of highly entangled states of multiple photons.

36 MATERIALS SCIENCE↗

Examining metastatic behavior within 3D bioprinted vasculature for the validation of a 3D computational flow model

Understanding the dynamics of circulating tumor cell (CTC) behavior within the vasculature has remained an elusive goal in cancer biology. To elucidate the contribution of hydrodynamics in determining sites of CTC vascular colonization, the physical forces affecting these cells must be evaluated in a highly controlled manner. To this end, we have bioprinted endothelialized vascular beds and perfused these constructs with metastatic mammary gland cells under physiological flow rates. By pairing these in vitro devices with an advanced computational flow model, we found that the bioprinted analog was readily capable of evaluating the accuracy and integrated complexity of a computational flow model, while also highlighting the discrete contribution of hydrodynamics in vascular colonization. This intersection of these two technologies, bioprinting and computational simulation, is a key demonstration in the establishment of an experimentation pipeline for the understanding of complex biophysical events.

42 ENGINEERING↗

Implementation of Smart Materials for Actuation of Traditional Valve Technology for Hybrid Energy Systems

The ever-changing nature of the power industry will require the implementation of hybrid energy systems. Integration of tightly coupled components in hybrids often involves the diversion of exhaust gas flow. An innovative smart material actuation technology is proposed to replace traditional electro-mechanical actuated valve mechanisms with lighter and less expensive actuators. A shape memory alloy (SMA) spring-actuated valve was designed for high-temperature service to demonstrate the promise of smart materials in control valve applications. With SMA springs only generating a maximum force of 3.2 N, an innovative valve design was necessary. To demonstrate the concept, a 3-inch Nominal Pipe Size valve was designed, and 3D printed using the stereolithography technique. Increasing the electrical current to actuate the SMA springs reduced actuation time. The maximum current of 10 A produced the lowest actuation time of 2.85 s, with an observed maximum stroke rate of more than 100 stroke completion %/s (considering actuation open/close as 100% stroke) at the midrange. The final assembly of the valve was estimated to provide a cost reduction of more than 30% and a weight reduction of more than 80% compared to the other available automatic valves in the present market.

36 MATERIALS SCIENCE↗

System and method for voltage-based real-time micro-object position control with the aid of a digital computer

The system and method described allow for real-time control over positioning of a micro-object. A movement of at least one micro-object suspended in a medium can be induced by a generation of one or more forces by electrodes proximate to the micro-object. Prior to inducing the movement, a simulation is used to develop a model describing a parameter of an interaction between each of the electrodes and the micro-object. A function describing the forces generated by an electrode and an extent of the movement induced due to the forces is generated using the model. The function is used to design closed loop policy control scheme for moving the micro-object towards a desired position. The position of the micro-object is tracked and taken into account when generating voltage patterns in the scheme.

Matei, Ion↗