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Hybrid Composite Materials and Manufacturing: Fibers, Nano-Fillers and Integrated Additive Processes

This book explores the research and advancements in hybrid composite materials and manufacturing techniques. It encompasses a wide array of subjects, such as hybrid materials, advanced manufacturing processes, and nanocomposites. A distinctive feature of this book is its in-depth examination of recent trends in integrated processes, where traditional manufacturing methods are combined with cutting-edge techniques. Our aim is to equip readers with a comprehensive understanding of the current landscape and future potential of hybrid composites, ensuring they remain informed and up-to-date with the latest developments in the field.

Kumar, Vipin [ORNL] (ORCID:0000000295807098)↗

Zinc oxide (ZnO) hybrid metasurfaces exhibiting broadly tunable topological properties

Extreme light confinement observed in periodic photonic structures, such as the vortex singularities in momentum (k) space, has been associated with their topological nature. Consequently, by exploiting and tuning their topological properties, optical metasurfaces have been demonstrated as an attractive platform for active photonics. However, given the fact that most active media under external excitations can only provide limited refractive index change, the potential advancements offered by the topological character of active metasurfaces have remained mostly unexplored. Zinc oxide (ZnO), which has recently exhibited optically-induced extraordinarily large permittivity modulations at visible and near-infrared frequencies, is an excellent active material for dynamic metasurfaces exhibiting strong tuning. This work demonstrates that a hybrid metasurface consisting of an array of ZnO nanodisks on a silver backplane displays broadly tunable topological properties. In particular, by performing k-space scattering simulations using measured pump-fluence-dependent material properties of ZnO, we study in detail the light reflection from the hybrid metasurface. Our results validate that the large k-space topology tuning of the metasurface can result in enormously strong polarization manipulation of near-infrared light in the vicinity of the topological features. The observed polarization switching effect is highly sensitive to the polarization and wavelength of an incident wave, owing to the symmetry and dispersion characteristics of the proposed system. Our study indicates that leveraging a combination of the extraordinary material properties and the k-space topology, hybrid metasurfaces based on ZnO may open new avenues for creating all-optical switchable metadevices.

36 MATERIALS SCIENCE↗

Design and fabrication of robust hybrid photonic crystal cavities

Abstract Heterogeneously integrated hybrid photonic crystal cavities enable strong light–matter interactions with solid state, optically addressable quantum memories. A key challenge to realizing high quality factor ( Q ) hybrid photonic crystals is the reduced index contrast on the substrate compared to suspended devices in air. This challenge is particularly acute for color centers in diamond because of diamond’s high refractive index, which leads to increased scattering loss into the substrate. Here, we develop a design methodology for hybrid photonic crystals utilizing a detailed understanding of substrate-mediated loss, which incorporates sensitivity to fabrication errors as a critical parameter. Using this methodology, we design robust, high-Q, GaAs-on-diamond photonic crystal cavities, and by optimizing our fabrication procedure, we experimentally realize cavities with Q approaching 30,000 at a resonance wavelength of 955 nm.

Abulnaga, Alex↗

Additive and Non-Additive Genetic Variances for Tree Growth in Several Hybrid Poplar Populations and Implications Regarding Breeding Strategy

Populus species (P. deltoides, P. maximowiczii, P. nigra) and their inter-specific hybrids were tested for growth rate over a five year period at four test locations in Minnesota, USA, to estimate genetic variance components. The breeding scheme incorporated recurrent selection of full-sib families of pure species parents, production of F 1 inter-specific hybrids from selected families, and selection of clones within the F 1 s. Improvement of yield through time using this scheme is predicated on the assumption that additive effects comprise a significant portion of the total genetic variance. The estimates of additive and non-additive variances reported are not traditional point estimates, because a fully balanced mating design was impossible due to parental incompatibilities which result in incomplete breeding matrices. Instead, bounded estimates, not previously used in tree genetics research, are derived from linear combinations of formulae of genetic expectations observed among-family, among-clone, and environmental variances. Our results suggest that combined family and mass selection would lead to increases in growth rate of 27 % and 47 % per generation in P. deltoides and P. nigra , respectively. Broad sense-based clonal selection within the F 1 could yield selection responses in excess of 90 % of the mean of such populations. Among-family variance comprised about 1/3 of total genetic variance while within-family variance was always about 2/3 of total genetic variance, regardless of pedigree. With this beind said, the results indicate that recurrent intraspecific selective breeding followed by interspecific hybridization and non-recurrent selection based on broad sense genetic variation would constitute an effective yield improvement strategy.

54 ENVIRONMENTAL SCIENCES↗

U.S. Department of Energy Vehicle Technologies Program: Battery Test Manual For Plug-In Hybrid Electric Vehicles

This battery test procedure manual was prepared for the United States Department of Energy (DOE), Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office. It is based on technical targets for commercial viability established for energy storage development projects aimed at meeting system level DOE goals for Plug-in Hybrid Electric Vehicles (PHEV). The specific procedures defined in this manual support the performance and life characterization of advanced battery devices under development for PHEV’s. However, it does share some methods described in the previously published battery test manual for power-assist hybrid electric vehicles. Due to the complexity of some of the procedures and supporting analysis, future revisions including some modifications and clarifications of these procedures are expected. As in previous battery and capacitor test manuals, this version of the manual defines testing methods for full-size battery systems, along with provisions for scaling these tests for modules, cells or other subscale level devices. The DOE-United States Advanced Battery Consortium (USABC), Technical Advisory Committee (TAC) supported the development of the manual. Technical Team points of contact responsible for its development and revision are Renata M. Arsenault of Ford Motor Company and Jon P. Christophersen of the Idaho National Laboratory. The development of this manual was funded by the Unites States Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Office. Technical direction from DOE was provided by David Howell, Energy Storage R&D Manager and Hybrid Electric Systems Team Leader. Comments and questions regarding the manual should be directed to Jon P. Christophersen at the Idaho National Laboratory (jon.christophersen@inl.gov).

25 ENERGY STORAGE↗

Cummins MD & HD Accessory Hybridization CRADA -Annual Report FY15

There are many areas of MD and HD vehicles that can be improved by new technologies and optimized control strategies. Component optimization and idle reduction need to be addressed, this is best done by a two part approach that includes selecting the best component technology, and/or architecture, and optimized controls that are vehicle focused. While this is a common focus in the light duty industry it has been gaining momentum in the MD and HD market as the market gets more competitive and the regulations become more stringent. When looking into systems optimization and idle reduction technologies, affected vehicle systems must first be considered, and if possible included in the new architecture to get the most benefit out of these new capabilities. Typically, when looking into idle reduction or component optimization for MD/HD, the vehicle s accessories become a prime candidate for electrification or hybridization. While this has already been studied on light duty vehicles (especially on hybrids and electric vehicles) it has not made any head way or market penetration in most MD and HD applications. If hybrids and electric MD and HD vehicles begin to break into the market this would be a necessary step into the ability to make those vehicles successful by allowing for independent, optimized operation separate from the engine.

33 ADVANCED PROPULSION SYSTEMS↗

Parallel Solver for H(div) Problems Using Hybridization and AMG

In this paper, a scalable parallel solver is proposed for H(div) problems discretized by arbitrary order finite elements on general unstructured meshes. The solver is based on hybridization and algebraic multigrid (AMG). Unlike some previously studied H(div) solvers, the hybridization solver does not require discrete curl and gradient operators as additional input from the user. Instead, only some element information is needed in the construction of the solver. The hybridization results in a H1-equivalent symmetric positive definite system, which is then rescaled and solved by AMG solvers designed for H1 problems. Weak and strong scaling of the method are examined through several numerical tests. Our numerical results show that the proposed solver provides a promising alternative to ADS, a state-of-the-art solver [12], for H(div) problems. In fact, it outperforms ADS for higher order elements.

97 MATHEMATICS AND COMPUTING↗

Accessory Hybridization for Medium- and Heavy-Duty Trucks

Manufacturers of medium- and heavy-duty engines and transmissions continually try to improve the efficiency of their components; however, it is becoming more difficult and costly to improve those technologies, and a new approach is needed to find efficiency gains in other vehicle systems. For example, most ancillary loads on the engines in medium- and heavy-duty trucks, both at idle and under driving conditions, are generated by accessories that are designed to address worst-case scenarios or to meet the minimum requirements at one operating point. Improvements to those systems would improve overall powertrain efficiency. The objectives of this cooperative research and development agreement (CRADA) between Oak Ridge National Laboratory (ORNL) and Cummins Inc. (CRADA No. NFE-13-04402) are (1) to analytically verify novel accessory electrification /hybridization approaches for medium- and heavy-duty trucks and (2) to experimentally validate prototype hardware utilizing the ORNL Vehicle Systems Integration Laboratory and the Cummins T112 test vehicle. Hybrid powertrains can provide significant reductions in fuel consumption, criteria pollutants, and greenhouse gas emissions. They provide these benefits by meeting vehicle power requirements in more flexible and optimal ways than a conventional powertrain (e.g., capture and use of braking energy, optimization of engine and component operation). Realizing the full potential of hybridization requires management of all vehicle power demands, including accessory loads. One of the major petroleum-reduction opportunities of hybridization is to shut the engine down when power demand is low. However, accessory loads, such as power steering, braking, climate control, and other electric auxiliaries, must still be managed when the engine is off.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Gas Turbine Heavy Hybrid Powertrain Variants. Opportunities and Potential for Systems Optimization

Widespread use of alternative hybrid powertrains is currently inevitable, and many opportunities for substantial progress remain. Hybrid electric vehicles (HEVs) have attracted considerable attention due to their potential to reduce petroleum consumption and greenhouse gas emissions in the transportation sector. This capability is mainly attributed to (a) the potential for downsizing the engine, (b) the potential for recovering energy during braking and thus recharging the energy storage unit, and (c) the ability to minimize the operation of the engine outside of its most efficient brake specific fuel consumption (BSFC) regime. Hybridization of the Class 8, heavy-duty (HD) powertrain is inherently challenging due to the expected long-haul driving requirements and limited opportunities for regenerative braking. The objective of this project is to develop control strategies aiming at optimizing the operation of a Class 8 HEV that features a micro-turbine as the heat engine. The micro-turbine application shows promise in fuel efficiency, even when compared to current diesel engines, and can meet regulated exhaust emissions levels with no exhaust after-treatment system. Both parallel and series HEV variants will be examined to understand the merits of each approach of the micro-turbine to MD advanced powertrain applications. These powertrain configurations enable new paradigms in operational efficiency, particularly in the Class 8 truck fleet. The successful development of these HEV variants will require a thorough technical understanding of the complex interactions between various energy sources and energy consumption components, for various operating modes. PACCAR will be integrating the first generation of their series HEV powertrain with a Brayton Energy micro-turbine into a Class 8 HD truck tractor that has both regional haul and local pick-up and delivery (P&D) components to its drive cycle. The vehicle will be deployed into fleet operation for a demonstration period of six (6) months to assess real world operating benefits of the advanced powertrain. A parallel variant of the micro-turbine powertrain will be built and sent to the ORNL Vehicle Systems Integration Laboratory.

33 ADVANCED PROPULSION SYSTEMS↗

Plug-In Hybrid Urban Delivery Truck Technology Demonstration

The I-710 and CA-60 highways are key transportation corridors in the Southern California region that are heavily used on a daily basis by heavy duty drayage trucks that transport the cargo from the ports to the inland transportation terminals. These terminals, which include store/warehouses, inland-railways, are anywhere from 5 to 50 miles in distance from the ports. The concentrated operation of these drayage vehicles in these corridors has had and will continue to have a significant impact on the air quality in this region whereby significantly impacting the quality of life in the communities surrounding these corridors. To reduce these negative impacts it is critical that zero and near-zero emission technologies be developed and deployed in the region. A potential local market size of up to 46,000 trucks exists in the South Coast Air Basin, based on near- dock drayage trucks and trucks operating on the I-710 freeway. The South Coast Air Quality Management District (SCAQMD), California Air Resources Board (CARB) and Southern California Association of Governments (SCAG) — the agencies responsible for preparing the State Implementation Plan required under the federal Clean Air Act — have stated that to attain federal air quality standards the region will need to transition to broad use of zero and near zero emission energy sources in cars, trucks and other equipment (Southern California Association of Governments et al, 2011). SCAQMD partnered with Volvo Trucks to develop, build and demonstrate a prototype Class 8 heavy-duty plug-in hybrid drayage truck with significantly reduced emissions and fuel use. Volvo’s approach leveraged the group’s global knowledge and experience in designing and deploying electromobility products. The proprietary hybrid driveline selected for this proof of concept was integrated with multiple enhancements to the complete vehicle in order to maximize the emission and energy impact of electrification. A detailed review of all technologies included in the demonstrator is presented in this report. The project was completed in July 2015 with a final demonstration of the concept vehicle on a simulated drayage route around Volvo’s North American headquarters in Greensboro, NC. The route included all traffic conditions typical of drayage operation in Southern California as well as geofences defined to showcase the zero emission capabilities of the truck. The demonstrator successfully completed four consecutive trips with a gross combined vehicle weight of 44,000 lb., covering approximately 2 miles out of a total distance of 9 miles per trip in the Zero Emission (ZE) geofence. This vehicle is expected to use approximately 30% less fuel than a typical drayage truck in daily operation, and it is designed to allow full electric operation whenever operating in a marine terminal in the ports of Los Angeles / Long Beach. A paper study on the feasibility of expanding the capabilities of the plug-in hybrid concept developed as part of this project was also delivered as an addendum to the regular progress reports.

33 ADVANCED PROPULSION SYSTEMS↗

Comparison of Hybrid K-Edge Densitometer (HKED) Performance Operating with the Canberra Lynx MCA and the Canberra ICB-NIM Electronics

From the 1991 until 2008 the Canberra Hybrid K-Edge Densitometer systems were provided with ICB-NIM (Integrated Control Bus – Nuclear Instrument Module) acquisition electronics. Newer electronics modules, such as the Lynx, were not supported under the VMS based operating system. The LYNX module was provided as the standard acquisition electronics following the release of the Windows based CHKED software. This report compares the electronics dead-time, gain shifts, detector resolution and measurement performance of the HKED system operated with the two types of acquisition modules. The comparison was performed using measurements obtained with the ORNL HKED system. The original intent of this study was to take advantage of both the timing and energy outputs from the HPGE detector to acquire data with both sets of electronics in parallel. Although this approach has been applied successfully with other systems, in this case we found the timing output produced a significant amount of noise such that a comparison between the electronics would be invalid. So the comparative measurements were performed sequentially. The ICB-NIM data was acquired over the course of 12 months with 255 measurements while the LYNX data was acquired over a period of 10 months with 75 measurements. To simplify the comparison, all data used in this study was acquired using the Canberra CHKED (V1.0) software package. The performance analysis was based primarily on the peak locations, peak widths and concentration values reported by the CHKED software. The raw spectra from the XRF measurements were also examined to extract additional 109Cd peak location and width data for the hybrid measurements (the standard hybrid report template does not report these values).

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Hybrid Ionic-Nano-Additives for Engine Lubrication to Improve Fuel Efficiency

We developed a new class of hybrid organic-inorganic/metallic nanoparticles (NPs) as additives for polyalphaolefin (PAO) for friction and wear reduction to improve engine energy efficiency. The hybrid additives were synthesized by using polymers, ionic liquid (IL)-containing polymers, organic ligands, or ILs to functionalize NPs. The tribological properties of these hybrid NPs or mixtures of NPs and ILs were studied by high contact stress ball-on-flat reciprocating sliding tests at 100°C. Significant reductions in friction and wear were achieved compared to PAO base oil. The lubrication mechanisms were elucidated by both experimental and simulation studies.

36 MATERIALS SCIENCE↗

Analysis of Refrigeration Units in Off Grid PV/Wind Hybrid Systems on Tribal Land

This paper looks at the performance of residential refrigeration units in off-grid photovoltaic and small wind hybrid (PV/wind) systems with battery storage. Off grid hybrid power systems, dispatched by Navajo Tribal Utility Authority (NTUA), allow Navajo Nation residents in rural areas to have the benefits of electricity. On the Navajo Nation, the rural and rugged nature of the land results in a high capital cost to connecting a house to the grid. In this case, a hybrid PV/wind power generation system may be used at a much lower cost to the customer. In providing affordable power systems to customers, the systems are designed to provide adequate power for use. This requires a constant conservative use of electricity. For systems with refrigerators which are large alternating current (AC) loads, there are performance issues that arise. NTUA reports that new energy star rated refrigerators have performance issues in working with these off grid systems. This paper looks at ways to improve the performance of these systems with the use of a refrigeration unit. This involves looking at conventional refrigerators with its operation. This paper also looks at alternative methods of refrigeration. Also, the power system is looked at to increase the performance in maintaining a proper balance of the system. Lastly, solutions will be recommended to solve the refrigeration issues faced by NTUA.

14 SOLAR ENERGY↗

Electronic Structure-Based Discovery of Hybrid Photovoltaic Materials on Next-Generation HPC Platforms

Organic and hybrid organic-inorganic materials other significant opportunities for applications in photovoltaics (PV) and other semiconductor applications. The versatility of organic synthesis affords broad flexibility in terms of fine-tuning the properties of the molecular components. For purely organic materials, the interfaces to inorganic electrodes are a key component that determines the efficiency of eventual devices. In organic-inorganic hybrid materials, atomic-scale inorganic components are integrated with the organic functionality to form tightly integrated, crystalline semiconductor materials with potentially entirely new electronic and carrier transport characteristics. In either organic-inorganic interfaces or hybrid materials, the key properties are governed by the details of the atomic structure, which is virtually impossible to foresee based on empirical criteria. Predictive simulations of the structure and electronic properties of such materials or interfaces would thus greatly enhance our ability to identify the most promising organic-inorganic combinations faster, reducing the need for time consuming experimental synthesis attempts while navigating a complex materials space.

14 SOLAR ENERGY↗

The Novel Hybrid Ab Initio Model of High-Performance Structural Alloys Design for Fossil Energy Power Plants

The current project developed a novel HT-CALPHAD/DFT approach, which can quickly design new high-performance structural alloys for the application of FE power plants. The PI will mainly take charge of high-throughput DFT simulations and computational thermodynamics of the selected multicomponent alloy systems for the FE power plant applications. At the end of the project, a novel hybrid model based on high throughput CALPHAD/DFT simulations and computational thermodynamics will be developed to provide guidance on how to identify multi-component new high-performance structural alloys with much less computational effort needed. It will address the extensive computation time needed for DFT on the new alloys design. In addition, it will also address the well-known headache of DFT, i.e. how to make the accurate prediction of the high-temperature equilibria. The novel hybrid model the PI proposed will not only be applied to the design of high-performance structural alloys in FE power plants but in many different applications, such as nuclear reactors. This hybrid modeling approach includes four sections: 1) HT-CALPHAD modeling of Al-Co-Cr-Ni-Fe system with FCC and BCC phase. In this section, 3561 non-equiatomic compositions were randomly generated in order to investigate the phase stability of single FCC and BCC phases. Meanwhile, we proposed a data screening procedure to screen out the good candidates within these compositions, considering the temperature range, average density, and melting temperature, etc. 2) Investigation of FCC-Cr lattice stability in Fe-Cr system. We systematically assessed the reliability of FCC-Cr lattice stability derived by DFT and CALPHAD approaches. Meanwhile, the Fe-Cr binary system was chosen as a case study to verify the Cr lattice stability obtained by both approaches. 3) High-throughput DFT modeling on elastic properties of Al-Co-Cr-Ni-Fe systems. We predicted and established the FCC quinary elastic constant database of the Al-Co-Cr-Fe-Ni systems at 0K by using special quasi-random structure (SQS) approach. The predictions will start with pure elements of Al-Co-Cr-Fe-Ni system and will be continued with binaries, ternaries, quaternaries, and finally the quinary compositions. 3) Modeling of temperature-dependent elastic properties in Al-Co-Cr-Ni-Fe systems. In this part, we predict the thermal expansion coefficient and elastic stiffness coefficient as a function of temperature by applying quasiharmonic approximation. With this approach, the elastic properties of HEAs at elevate temperature can be estimated.

01 COAL, LIGNITE, AND PEAT↗

Vortex Matter in Confined Superconductors and Mesoscopic Hybrid Heterostructures. Final report

This program studied the fundamental features that underlie the behavior of hybrid ferromagnet/superconductor heterostructures both in the regime of magnetic coupling and proximity effect. In ferromagnet/superconductor hybrid structures, the source of superconducting correlations and ferromagnetism are spatially separated. Therefore, the interplay between ferromagnetism and superconductivity results in physical effects that are not easily observed in bulk superconductors and allows to tune the local superconducting and vortex properties, realizing, thus, a new class of materials. In the case of proximity effect the ferromagnet and the superconductor are in contact and leakage of superconducting pairs is allowed into the ferromagnetic layer. Typically, the decay length for the superconducting pair correlations in the ferromagnet is of the order of one nanometer due to the typically large ferromagnetic exchange field. However, a suitable magnetic structure in the ferromagnetic material can be used to align the spins of the superconducting pairs allowing much longer penetration of superconductivity in the magnetic material. These superconducting pairs with aligned spins can carry spin and provide the basis for superconducting spintronics devices. In the case of magnetic coupling the effect of a spatial inhomogeneous stray field produced by the ferromagnet substantially modifies the nucleation of the order parameter in the superconducting layer and can lead to a significant change in the local superconducting properties. Therefore, magnetically coupled planar ferromagnet-superconductor hybrid structures offer new avenues for manipulation of the superconductivity at the nanoscale and convenient means to control vortex dynamics.

36 MATERIALS SCIENCE↗

A Hybrid Climate Modeling System Using AI-assisted Process Emulators

This white paper addresses Focus Area II. We advocate developing a hybrid modeling system to improve the understanding of decadal- and longer-scale predictability of high impact water cycle components. This hybrid model combines a partial differential equation (PDE)-based dynamic core with AI/ML based emulators to represent many of the computationally expensive processes in Earth’s climate models. The hybrid modeling system has the potential to exploit emerging graphics processing unit (GPU)-accelerated architectures and allows for the generation of large ensemble (~1000’s) simulations to better characterize the model uncertainty and understand predictability.

58 GEOSCIENCES↗

Dopants, Isotope, Pressure and Lead Sequestration for Hybrid Perovskite Materials

Dopants, Isotope, Pressure and Lead Sequestration for Hybrid Perovskite Materials The soaring power conversion efficiency (PCE) of solution process-based organic-inorganic hybrid perovskites solar cells (PSCs) assures their membership in the competitive photovoltaic technologies. However, stability, toxicity and scalability are the three grand challenges that still impedes the market adoption of PSCs. Careful fundamental studies on how their fascinating optoelectronic properties is related to their structures may provide leads to these challenges and also spin off new applications. In this talk, I will present our recent study on the dopants, isotope and pressure effects on hybrid perovskite materials (HPMs). We discovered an interesting bipolar electron injection in LiCl-doped MAPbI 3 -based UV detectors that respond to the energy of UV photons in distinguished photocurrents polarity. We also investigated how the underline interaction between the mass of the cationic rotors and the inorganic lattice in HPMs by isotope effect. In-situ synchrotron X-ray and time-resolved photoluminescence revealed abnormal optoelectronic properties of HPMs by modulating their bond angles and bond lengths using high pressure techniques. Moreover, I will also discuss our new technology to sequestrate lead leakage on perovskite solar cells that can absorb >99% leaked Pb ions under severe device damge while without sacrificing the PCE under normal operational conditions.

Xu, Tao↗