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At least 1,009 records · Page 56

Recovering Energy From A Rapidly Switched Gate

Circuit proposed to recover energy usually lost in charging and discharging internal gate capacitance of field-effect transistor during high-frequency switching. Scheme includes pulse-forming circuit generating rectangular waveform with zero-level notches near beginning and end of "on" period. Inductor resonates internal gate capacitance so energy recovered during notches.

Rippel, Wally E.↗

Global Energy Policy to Achieve the United States’ Nationally Determined Contributions: Potential Pathway

In 2021, the United States declared its Nationally Determined Contribution (NDC) in preparation for the COP26 climate summit, setting goals to achieve zero emission electricity by 2035, and reducing net emissions by 50–52% compared to 2005 levels. The current U.S. energy policies were found to not be adequate to meet these goals, thus it is necessary to draft a pathway to achieving these goals through policy changes. This study focused on foreign energy policies to analyze the most effective policies in a host of sectors. By identifying the most ambitious and effective policies from around the world in each sector, this study was able to suggest a policy pathway that can potentially achieve both of goals set in the NDC. In guiding the development of the proposed policy pathway, this study analyzed policies from Australia, Canada, California, China, Denmark, France, Germany, Japan, Russia, South Korea, Sweden, the United Kingdom, and the United States. This study found that the most drastic CO2 reductions came from low-carbon electricity policy, but contributions were also made from carbon capture, reforestation, hydrogen, energy efficiency, and climate smart agriculture.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Fighting the climate crisis with caloric heat pumping: Innovations to enable widespread adoption

Caloric heat pumping is a cross-cutting thermal energy technology that can cover a wide range of applications and temperatures, from millikelvins to hundreds of kelvins, with a working medium that has zero global warming potential. The technology promises cost savings and high efficiency, having 60% Carnot efficiency demonstrated to date. The Energy Earthshots™ Initiative, launched by the U.S. Department of Energy, aims to fight the climate crisis and overcome technological barriers to a decarbonized economy. The initiative focuses on the development of energy solutions that increase efficiency, reduce greenhouse gas emissions, and ensure affordability. Three out of eight Energy Earthshots™ look for alternative thermal energy technologies for extensive temperature ranges, from hydrogen liquefaction to metal-treating temperatures. Caloric heat pumping can fulfill all these requirements; however, at the current stage, caloric systems have limited presence in real-world applications. Further, this perspective discusses key efforts to address barriers hindering the widespread adoption of caloric technology. We focus on essential breakthroughs in and effective approaches to material discovery and draw a path to high-power-density, grid-interactive caloric systems to support achieving the ambitious net-zero carbon economy goal.

42 ENGINEERING↗

The pursuit of net-positive sustainability for industrial decarbonization with hybrid energy systems

We report signatories of the Paris Agreement are set to miss their climate targets. The net-zero pledges announced to date across many countries and private industries are insufficient to achieve carbon neutrality, which requires implementation of far-reaching and significantly scaled-up climate-positive actions. All technology options that pertain to deep decarbonization and carbon removal must be part of the mitigation portfolio. Transformative action plans must be established in which every individual/organization around the globe is an actor of changes in relation to net-zero goals. Such plans must involve governmental policy support but also encourage voluntary efforts to boost innovations, investments, initiatives, and behavioral changes. Recognition of these efforts is made quantifiable with the concepts of carbon handprint and net positivity. This paper presents a carbon handprint perspective on characterizing the environmental benefits of hybrid energy systems (HESs)—a widely applicable solution to cleaner production leveraging the capabilities of a portfolio of low-carbon energy sources—that provide heat and electricity to industrial processes. First, the carbon handprint and net positivity concepts and their calculation approach are introduced. The state of the art of HES-enabled industrial cogeneration is then surveyed, and the greenhouse gas emission intensities of different energy sources that power HESs are compared. Next, drawing on a case study about a US chemical facility's voluntary initiative to explore replacing its fossil fuel–based cogeneration infrastructure with a clean energy–generated HES, several technically viable scenarios are evaluated—especially those with small modular nuclear reactors—to illustrate how the positive-thinking handprint approach helps encourage and inform the search for widespread influence pathways in pursuit of net-positive sustainability. Finally, current knowledge gaps in the case study are identified, and opportunities to scale up the proposed handprint-based analysis are outlined with consideration of an expanded role of HESs in fulfilling climate objectives.It is envisioned that like-minded decision makers in the industry sector and beyond will adopt this perspective and act synergistically to enhance their environmental stewardship through voluntary actions and make greater contributions to the planet's climate future.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Variational Simulation of the Lipkin-Meshkov-Glick Model on a Neutral Atom Quantum Computer

We simulate the Lipkin-Meshkov-Glick model using the variational-quantum-eigensolver algorithm on a neutral atom quantum computer. We test the ground-state energy of spin systems with up to 15 spins. Two different encoding schemes are used: an individual spin encoding where each spin is represented by one qubit, and an efficient Gray code encoding scheme that only requires a number of qubits that scales with the logarithm of the number of spins. This more efficient encoding, together with zero-noise extrapolation techniques, is shown to improve the fidelity of the simulated energies with respect to exact solutions.

97 MATHEMATICS AND COMPUTING↗

Review of the U.S. Policies, Codes, and Standards of Zero-Carbon Buildings

The global issue of climate change has accelerated the international commitment to net-zero carbon emission development. Decarbonizing the building sector has been put on several governments’ sustainable development agendas. To provide a reference for decarbonizing the building sector, this paper summarizes the U.S. experience in zero-carbon buildings (ZCBs) from the aspects of policies, codes, and standards at the federal and local levels and those of professional societies. Based on the definition and boundaries of ZCBs, this paper introduces policies on building energy efficiency, electrification, on-site renewable energy deployment, and “buy clean”, illustrating highlights in building phases, energy systems, materials production, and fiscal incentives. The synergic efforts and coordination between federal and local levels and with professional societies are also introduced. Successful experiences in policy and standard implementation are summarized, including the systemic work of multilevel governance, clearly defined goals and stringent policies, constant upgrades of codes and standards, transparency in reporting and information sharing, and increased financial and investment opportunities. This paper provides concrete recommendations for developing zero-carbon building policies.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Equation of State and Energy Loss of Hot and Dense Quark-Gluon matter from Holographic Black Holes

By using gravity/gauge correspondence, we construct a holographic model, constrained to mimic the lattice QCD equation of state at zero density, to investigate the temperature and baryon chemical potential dependence of the equation of state. We also obtained the energy loss of light and heavy partons within the hot and dense plasma represented by the heavy quark drag force, Langevin diffusion coefficients and jet quenching parameter at the critical point and across the first-order transition line predicted by the model.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Optimal design of multi-stage vacuum membrane distillation and integration with supercritical water desalination for improved zero liquid discharge desalination

Herein this paper proposes a novel concept for the optimal design of multi-stage vacuum membrane distillation (VMD). Generally, a multi-stage VMD is designed with an equal temperature difference between each stage. However, such a design is energy inefficient and increases VMD area. An analytical methodology for calculating the optimal stage temperature is proposed. By selecting the optimal stage temperature, the energy efficiency and required membrane area can be potentially improved by 16% and 30%, respectively. The proposed concept applies to all heat sources, including latent, sensible, and waste heat. To illustrate the method, multi-stage VMD is integrated with the waste heat from a supercritical water desalination (SCWD) system to achieve zero liquid discharge. SCWD is an energy-intensive process, requires high-quality thermal heat (>450 °C), and exhibits high waste heat rejection. The integrated VMD-SCWD approach is approximately 50% more energy-efficient and 35% more cost-efficient than the standalone SCWD system. Compared to the commercially used brine concentrator and crystallizer, the multi-stage VMD-SCWD system is more energy efficient for feed concentrations >5%. VMD-SCWD system is 30% cheaper, due to less expensive membrane distillation modules compared to a brine concentrator. The proposed design concept can replace the brine concentrator and crystallizer as an improved alternative for a zero-liquid discharge desalination system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Systems Analysis of Biomass and Coal Co-firing Power Plants with Deep Carbon Capture Toward Net-zero Emissions

Achieving a net-zero emission economy in the United States requires integrating diverse low-carbon and negative-emission technologies into the existing fossil fuel-dominant power fleet. Potential technologies from the low-carbon portfolio include renewable power, fossil power with carbon capture and storage (CCS), bioenergy with CCS (BECCS), and direct air capture (DAC). Renewable power is a clean energy source but has to pair with costly battery storage to provide dispatchable electricity. Fossil power with CCS offers dispatchable electricity yet still relies on DAC to offset residual emissions, even when deploying deep CCS with more than 90% CO2 capture. Coal-biomass co-firing with CCS, a subset of BECCS, is a reliable energy production technology that can be retrofitted from existing electricity generation units (EGUs). Power plant retrofit maximizes the use of the current U.S. coal power fleet without the need for large-scale deployment of new renewable power, battery storage, or DAC. Retrofitting coal-biomass co-firing with deep CCS in EGUs is a promising option, but not a universal solution. Biomass co-firing at a power plant introduces economic challenges and indirectly poses pressure on land and water resources. Meanwhile, retrofitting deep CCS affects plant efficiency and raises electricity generation costs. Overall, the technical feasibility and economic viability of plant retrofits vary across EGUs, as they are contingent upon the regional availability of biomass, unit-specific characteristics, site-specific fuel supply costs, and adjacent CO2 storage potential. Government incentives like 45Q can improve the retrofit viability, though the impact requires further quantification. A comprehensive analysis at the unit level is essential to address the question regarding the fate of the U.S. coal-fired electricity generation fleet toward the net-zero emission goal. This study conducts a systematic techno-economic-environmental assessment of EGUs to identify the viability of biomass co-firing and deep CCS retrofits in the U.S. coal-fired power fleet. Specifically, it characterizes the techno-economic performance of deep carbon capture, estimates life cycle greenhouse gas (GHG) emissions, and conducts a fleet-level assessment on retrofit viability. The key objectives are (1) to estimate the unit-specific performance and retrofitted cost under various biomass co-firing levels and CO2 capture rates; (2) to determine the possibility of reaching net-zero emission at the fleet level; (3) to quantify the cumulative capacities that are suitable for plant retrofits under current and future biomass supply scenarios; and (4) to improve the understanding of policy impacts on such retrofits to help the power sector’s transition to a net-zero economy. Techno-economic Model of Deep Carbon Capture. This study develops the performance and economic models for Monoethanolamine-based post-combustion CO2 capture at 95–99% capture rates. The process is simulated in Aspen Plus, analyzing the performance of carbon capture technology by varying the plant sizes, solvent lean loading, CO2 concentrations, and flue gas inlet temperature. Based on the key inputs and output parameters of CO2 capture, a reduced-order performance model of deep carbon capture is formulated. In addition, an engineering-economic model integrating the performance metrics is developed to estimate the capital as well as operation and maintenance (O&M) costs. Capital cost estimations follow the framework of the Integrated Environmental Control Model (IECM) and incorporate data regressions from three technical reports by IECM, the National Energy Technology Laboratory (NETL), and the National Renewable Energy Laboratory. The O&M cost estimation utilizes the actual inventory consumption rate and labor requirements. Both performance and cost models are embedded into IECM v13.0-beta, a fossil-fuel power plant modeling tool. Life Cycle Assessment of Power Plants. This study estimates the GHG emissions of power plants through life cycle assessment (LCA). The LCA scope includes fuel supply, combustion-based power generation, and CO2 transport and storage. The fuel-based life cycle module is designed following the framework of the NETL Unit Process Library and CO2U LCA Guidance Toolkit. The module is then incorporated into IECM v13.0-beta. The process-based LCA is applied to estimate the GHG emissions of coal and biomass supply, coal- and coal-biomass co-firing power plant operation, as well as CO2 pipeline transport and geographical sequestration. An uncertainty analysis is conducted to quantify the variability and uncertainty associated with the LCA using the Latin Hypercube Sampling (LHS) method. Fleet-level Assessment. This study evaluates the technical and economic feasibility of selected coal-fired EGUs, examines the role of tax credits in retrofit viability, and assesses the competitiveness of retrofitted units against other low-carbon options. Unit screening identifies EGUs for the study, focusing on new, efficient baseload units with air pollution controls. The power plant databases are then established to organize unit-specific information on performance and operating conditions from the relevant public databases. Biomass for co-firing retrofits is selected based on home and neighboring county availability, ensuring sustained operation with at least a 5% co-firing level. The CO2 storage site is determined by state-level storage potential, with ArcGIS Pro and NETL CO2 Saline Storage Cost Model used to identify the optimal balance between the nearest transport distances and affordable storage costs. The latest IECM v13.0-beta is then employed to configure and evaluate the eligible EGUs with or without the deployment of deep CCS and biomass co-firing. A supply curve is established to illustrate the cumulative installed capacity suitable for retrofits at different cost levels. A sensitivity analysis on tax credits for carbon sequestration is performed. Finally, a unit-level cost comparison is conducted among retrofitted plants, renewable power with battery storage, and abated fossil fuels with DAC. Expected Results. This study evaluates the technical, economic, and environmental metrics of each EGU across an array of CO2 capture rates and biomass co-firing level scenarios. Unit-level comparisons will identify critical factors influencing technical performance. The supply curves with and without tax incentives will provide insights into the impact of tax credits on biomass co-firing and CCS deployment. The cost comparisons with renewables and DAC-retrofit will assess the competitiveness of the retrofitted units. Life cycle emissions from each unit will be assessed to identify the scenarios under which net-zero emissions can be achieved. These analyses are expected to determine the total coal-fired capacity suitable for serving as a low-carbon energy source with or without tax incentives. The study results are novel in identifying optimal unit-specific strategies for producing carbon-neutral power, whether through retrofitting EGUs with deep CCS, biomass co-firing, DAC, or installing renewable power with battery. The findings will provide insight into nationwide efforts to ensure reliable, affordable, and low-carbon electricity. It also will inform investment decisions and policies in the deployment of deep carbon capture and negative emission technologies for a net-zero energy future.

Biomass Co-firing↗

Supercritical Treatment Technology for Water Purification (Annual Final Report)

This project continued the development of the Supercritical Water Extraction – Enhanced Targeted Recovery (SWEETR™) technology, a novel desalination process for treating hypersaline brines. The overall objective is to demonstrate the technical and economic feasibility of an innovative, energy efficient, and robust supercritical desalination technology to treat hypersaline solutions and separating saltwater into a pure water stream and valuable recovered solids, resulting in zero liquid discharge (ZLD). The proposed technology, focuses on innovative methods of applying supercritical water to treat highly concentrated brine solutions without incurring a high energy penalty. Integrating the technology with solar energy reduces the energy cost for the system. The results obtained during the proof-of-concept testing demonstrate that the SWEETR™ concept is technically feasible and that supercritical water treatment is a viable option with strong merit for treating high salinity waters. The strategic design of the system provides the opportunity to localize the supercritical zone, which helps reduce the overall energy cost associated with the desalination process. The process can be tuned to remove only the amount of salts required to make the treated water “fit for purpose”, providing further opportunities to minimize energy costs. The ability to destroy organic compounds associated with the water while simultaneously being able to desalinate makes SWEETR™ uniquely fitted for treating aqueous streams such as produced water from oil and gas extraction which contain small amounts of organics. Such mixed contaminant streams pose an extreme challenge for other treatment options. Future work will further develop the SWEETR™ technology to take it from the bench-scale to the pilot-scale, and ready the technology for commercial application.

04 OIL SHALES AND TAR SANDS↗

Design of power electronics for TVC and EMA systems

The EMA systems proposed for future space transportation applications are high power systems operating at voltages up to 270 Vdc and at current levels on the order of hundreds of amperes. The position of the actuator is controlled by modulating the flow of energy from the source to an electric motor with an inverter. Hard-switching of the semiconductor devices in the inverter results in considerable device switching stresses and losses and in the generation of substantial amounts of EMI. Both of these can be reduced by employing zero-voltage-switching (ZVS) techniques in the inverter. This project has focused on the development of a ZVS inverter for the Marshall Space Center EMA prototypes, which utilize brushless dc motors to convert electrical energy to mechanical energy. An inverter which permitted zero-voltage switching and a quasi-PWM operation was selected for study and implementation. A waveshaping circuit is added to the front of a standard three-phase inverter to achieve the desired switching properties. This circuit causes the input voltage of the three-phase inverter to ring to zero where it is clamped for a short period of time. During this zero-voltage period, any of the semiconductor switches in the three-phase inverter are switched on or off at zero voltage resulting in a reduction in switching losses and EMI. The operation of this waveshaping circuit and its interaction with the three-phase inverter are described. The different circuit modes were analyzed using equivalent circuits. Based on this analysis, design relationships were developed for calculating component values for the circuit elements in the waveshaping circuit. Waveforms of various voltages and currents in the waveshaping circuit were plotted and used to determine the ratings of the semiconductors in the waveshaping circuit. The implementation of this inverter are described. Block diagrams for the overall control system and the waveshaping circuit control are presented and discussed. The current control scheme employed in the controller is also described.

Nelms, R. Mark↗

Compositionally complex doping for zero-strain zero-cobalt layered cathodes

We report the high volatility of the price of cobalt and the geopolitical limitations of cobalt mining have made the elimination of Co a pressing need for the automotive industry. Owing to their high energy density and low-cost advantages, high-Ni and low-Co or Co-free (zero-Co) layered cathodes have become the most promising cathodes for next-generation lithium-ion batteries. However, current high-Ni cathode materials, without exception, suffer severely from their intrinsic thermal and chemo-mechanical instabilities and insufficient cycle life. Here, in this paper, by using a new compositionally complex (high-entropy) doping strategy, we successfully fabricate a high-Ni, zero-Co layered cathode that has extremely high thermal and cycling stability. Combining X-ray diffraction, transmission electron microscopy and nanotomography, we find that the cathode exhibits nearly zero volumetric change over a wide electrochemical window, resulting in greatly reduced lattice defects and local strain-induced cracks. In-situ heating experiments reveal that the thermal stability of the new cathode is significantly improved, reaching the level of the ultra-stable NMC-532. Owing to the considerably increased thermal stability and the zero volumetric change, it exhibits greatly improved capacity retention. This work, by resolving the long-standing safety and stability concerns for high-Ni, zero-Co cathode materials, offers a commercially viable cathode for safe, long-life lithium-ion batteries and a universal strategy for suppressing strain and phase transformation in intercalation electrodes.

25 ENERGY STORAGE↗

Near-continuum, hypersonic oxygen flow over a double cone simulated by direct simulation Monte Carlo informed from quantum chemistry

A large-scale, fully resolved direct simulation Monte Carlo (DSMC) computation of a non-equilibrium, reactive flow of pure oxygen over a double cone is presented. Under the simulated near-continuum conditions, the computational demands are shown to be significant because of the wide range of length scales that must be resolved. Therefore, robust grid adaption capabilities and efficient parallelization of the Stochastic PArallel Rarefied-gas Time-accurate Analyzer (SPARTA) code that is utilized in this work are essential. The thermochemical and transport collision models were selected for efficiency and simplicity. First-principles data, obtained from the highly accurate direct molecular simulation method, were used to inform the collision models’ parameters. Importantly, because SPARTA implements molecular collision models using collision-specific energies, the resulting macroscopic relaxation rates were evaluated a posteriori via zero-dimensional heat bath simulations. The comparisons of surface properties, namely heat flux and pressure, show very close agreement with previous computational fluid dynamics (CFD) results. Differences with the measurements were found to be similar to the CFD simulations. The unresolved discrepancy with the measurements could be due to inconsistent free stream conditions with the actual experimental data or missing physical phenomena altogether, for example atomic and molecular oxygen electronically excited states, three-dimensional effects, or more complex gas–surface interactions. As shown in this work, the advantages of obtaining a DSMC particle solution for these flows reside in the method's ability to be directly informed from first principles and to seamlessly describe internal energy non-equilibrium for all modes. With the advent of exascale computing and beyond, particle methods will be an increasingly important tool to verify the validity of physical assumptions in reduced-order models via fully resolved, experimental-scale simulations, down to the level of molecular-level distributions.

Mechanics↗

Numerical Formulation for the Prediction of Solid/Liquid Change of a Binary Alloy

A computational model is presented for the prediction of solid/liquid phase change energy transport including the influence of free convection fluid flow in the liquid phase region. The computational model considers the velocity components of all non-liquid phase change material control volumes to be zero but fully solves the coupled mass-momentum problem within the liquid region. The thermal energy model includes the entire domain and uses an enthalpy like model and a recently developed method for handling the phase change interface nonlinearity. Convergence studies are performed and comparisons made with experimental data for two different problem specifications. The convergence studies indicate that grid independence was achieved and the comparison with experimental data indicates excellent quantitative prediction of the melt fraction evolution. Qualitative data is also provided in the form of velocity vector diagrams and isotherm plots for selected times in the evolution of both problems. The computational costs incurred are quite low by comparison with previous efforts on solving these problems.

Schneider, G. E.↗

Hydrogen Infrastructure Analysis for the Port Applications [Slides]

The International Maritime Organization has committed to 50% reduction in GHG emissions by 2050 worldwide as of 2023. This analysis includes performing an inventory and modeling efforts to understand the energy, equipment and cost requirements to support decarbonization of cargo handling and shore power at U.S. Ports, along with assessment of zero- and near- zero emission fuel supplies at or near U.S. ports focused upon Hydrogen technologies. Initial market assessment for ocean going vessels for harbor support and ocean-going vessels is explored. An energy analysis is performed on the port system using a holistic approach and considering the port as an entire ecosystem that functions as a transportation and energy node. Presently, a comprehensive view is lacking for future analysis efforts, this analysis seeks to address this gap in data by evaluating four representative port types and the potential for utilizing hydrogen for the maritime industry. Every port is different, but broadly they could be bracketed into reference cases with scaling factors for the relative size of the port operations. These reference ports are for future use, potentially as baselines for analysis and development of demonstration programs. An equipment inventory for each reference port type (container, bulk, breakbulk, and inland waterway) is presented. A comparative analysis of fuel cell electric and battery electric equipment is conducted based on the following criteria: technology readiness level, refueling/charging time, operational range, energy consumption, and fuel cost savings compared to baseline internal combustion engine equipment. The tradeoffs and synergies between two alternative powertrains is highlighted. Based on energy and infrastructure analysis, average and high equipment utilization profiles across different port types is identified and quantified baseline fuel and electricity demand for various decarbonization scenarios. Based on the portfolio of equipment converted to fuel cell electric, the estimates of initial capital investment are provided for hydrogen refueling stations across ports. An energy demand model is developed that predicts well the all-electric cargo handling equipment annual energy consumption for ports with annual tonnage under 2 million twenty-foot equivalent units (TEUs). The model is a good rubric to follow for further energy demand models that can create a scalable solution to understand the energy needs of cargo handling equipment, whether they are all-electric, hydrogen fuel cell, or powered by another fuel-type. Zero and near-zero emission fuel supply at ports is evaluated looking into the characteristics of hydrogen, ammonia, and methanol as an alternative fuel, as well as the bunkering status. The readiness of reference ports to produce ammonia or methanol and bunker the fuel is examined based on the framework developed by the Global Maritime Forum and Rocky Mountain Institute.

08 HYDROGEN↗

Statistical Mechanics of Turbulent Dynamos

Incompressible magnetohydrodynamic (MHD) turbulence and magnetic dynamos, which occur in magnetofluids with large fluid and magnetic Reynolds numbers, will be discussed. When Reynolds numbers are large and energy decays slowly, the distribution of energy with respect to length scale becomes quasi-stationary and MHD turbulence can be described statistically. In the limit of infinite Reynolds numbers, viscosity and resistivity become zero and if these values are used in the MHD equations ab initio, a model system called ideal MHD turbulence results. This model system is typically confined in simple geometries with some form of homogeneous boundary conditions, allowing for velocity and magnetic field to be represented by orthogonal function expansions. One advantage to this is that the coefficients of the expansions form a set of nonlinearly interacting variables whose behavior can be described by equilibrium statistical mechanics, i.e., by a canonical ensemble theory based on the global invariants (energy, cross helicity and magnetic helicity) of ideal MHD turbulence. Another advantage is that truncated expansions provide a finite dynamical system whose time evolution can be numerically simulated to test the predictions of the associated statistical mechanics. If ensemble predictions are the same as time averages, then the system is said to be ergodic; if not, the system is nonergodic. Although it had been implicitly assumed in the early days of ideal MHD statistical theory development that these finite dynamical systems were ergodic, numerical simulations provided sufficient evidence that they were, in fact, nonergodic. Specifically, while canonical ensemble theory predicted that expansion coefficients would be (i) zero-mean random variables with (ii) energy that decreased with length scale, it was found that although (ii) was correct, (i) was not and the expected ergodicity was broken. The exact cause of this broken ergodicity was explained, after much investigation, by greatly extending the statistical theory of ideal MHD turbulence. The mathematical details of broken ergodicity, in fact, give a quantitative explanation of how coherent structure, dynamic alignment and force-free states appear in turbulent magnetofluids. The relevance of these ideal results to real MHD turbulence occurs because broken ergodicity is most manifest in the ideal case at the largest length scales and it is in these largest scales that a real magnetofluid has the least dissipation, i.e., most closely approaches the behavior of an ideal magnetofluid. Furthermore, the effects grow stronger when cross and magnetic helicities grow large with respect to energy, and this is exactly what occurs with time in a real magnetofluid, where it is called selective decay. The relevance of these results found in ideal MHD turbulence theory to the real world is that they provide at least a qualitative explanation of why confined turbulent magnetofluids, such as the liquid iron that fills the Earth's outer core, produce stationary, large-scale magnetic fields, i.e., the geomagnetic field. These results should also apply to other planets as well as to plasma confinement devices on Earth and in space, and the effects should be manifest if Reynolds numbers are high enough and there is enough time for stationarity to occur, at least approximately. In the presentation, details will be given for both theoretical and numerical results, and references will be provided.

Shebalin, John V.↗

MHD Turbulence and Magnetic Dynamos

Incompressible magnetohydrodynamic (MHD) turbulence and magnetic dynamos, which occur in magnetofluids with large fluid and magnetic Reynolds numbers, will be discussed. When Reynolds numbers are large and energy decays slowly, the distribution of energy with respect to length scale becomes quasi-stationary and MHD turbulence can be described statistically. In the limit of infinite Reynolds numbers, viscosity and resistivity become zero and if these values are used in the MHD equations ab initio, a model system called ideal MHD turbulence results. This model system is typically confined in simple geometries with some form of homogeneous boundary conditions, allowing for velocity and magnetic field to be represented by orthogonal function expansions. One advantage to this is that the coefficients of the expansions form a set of nonlinearly interacting variables whose behavior can be described by equilibrium statistical mechanics, i.e., by a canonical ensemble theory based on the global invariants (energy, cross helicity and magnetic helicity) of ideal MHD turbulence. Another advantage is that truncated expansions provide a finite dynamical system whose time evolution can be numerically simulated to test the predictions of the associated statistical mechanics. If ensemble predictions are the same as time averages, then the system is said to be ergodic; if not, the system is nonergodic. Although it had been implicitly assumed in the early days of ideal MHD statistical theory development that these finite dynamical systems were ergodic, numerical simulations provided sufficient evidence that they were, in fact, nonergodic. Specifically, while canonical ensemble theory predicted that expansion coefficients would be (i) zero-mean random variables with (ii) energy that decreased with length scale, it was found that although (ii) was correct, (i) was not and the expected ergodicity was broken. The exact cause of this broken ergodicity was explained, after much investigation, by greatly extending the statistical theory of ideal MHD turbulence. The mathematical details of broken ergodicity, in fact, give a quantitative explanation of how coherent structure, dynamic alignment and force-free states appear in turbulent magnetofluids. The relevance of these ideal results to real MHD turbulence occurs because broken ergodicity is most manifest in the ideal case at the largest length scales and it is in these largest scales that a real magnetofluid has the least dissipation, i.e., most closely approaches the behavior of an ideal magnetofluid. Furthermore, the effects grow stronger when cross and magnetic helicities grow large with respect to energy, and this is exactly what occurs with time in a real magnetofluid, where it is called selective decay. The relevance of these results found in ideal MHD turbulence theory to the real world is that they provide at least a qualitative explanation of why confined turbulent magnetofluids, such as the liquid iron that fills the Earth's outer core, produce stationary, large-scale magnetic fields, i.e., the geomagnetic field. These results should also apply to other planets as well as to plasma confinement devices on Earth and in space, and the effects should be manifest if Reynolds numbers are high enough and there is enough time for stationarity to occur, at least approximately. In the presentation, details will be given for both theoretical and numerical results, and references will be provided.

Shebalin, John V↗

The complexity of { 11 2 ¯ 1 } twin interface structure and energetics in HCP materials

Here, the quest for a deeper understanding of the mechanical properties of HCP alloys has been an ongoing effort. Due to the lack of a sufficient number of slip systems, twin nucleation and migration originate as a substantial plastic deformation mechanism in HCP metals. The paper uncovers the energetics and atomistic mechanism of the {$11\overline{2}1$} < $11\overline{2}6$ > which is one of the most prominent twin modes in HCP materials that has not been fully understood. In view of corrugated {$11\overline{2}1$} interfaces, the positioning of lattice/motif atoms needs to be clarified. First, we establish the initial twin boundary (TB) structure unambiguously via the lattice offsets resulting in volume invariancy and correct relative positioning of the twin variants. Secondly, the TB migration mechanism is determined from a crystallographic (zero net shuffle, $Σ\vec{s}$ = 0) and energetic standpoints (minimum energy path). The Generalized Planar Fault Energy (GPFE) curves are calculated for Ti, Hf, Mg, and Zr. Such GPFE curves for this twin mode are calculated for the first time, and point to unusually high unstable energies (300-850 mJ/m 2 ), and low migration barriers (<60 mJ/m 2 ) for twinning accompanied with large shuffle magnitudes, |$\vec{s}$|, comparable to the Burger’s vector (|$\vec{s}$| ≅ $b_e$ > 0.44Å)

36 MATERIALS SCIENCE↗