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DOE OSTI2025

Roadmap for Photonics with 2D Materials

Triggered by advances in atomic-layer exfoliation and growth techniques, along with the identification of a wide range of extraordinary physical properties in self-standing films consisting of one or a few atomic layers, two-dimensional (2D) materials such as graphene, transition metal dichalcogenides (TMDs), and other van der Waals (vdW) crystals now constitute a broad research field expanding in multiple directions through the combination of layer stacking and twisting, nanofabrication, surface-science methods, and integration into nanostructured environments. Photonics encompasses a multidisciplinary subset of those directions, where 2D materials contribute remarkable nonlinearities, long-lived and ultraconfined polaritons, strong excitons, topological and chiral effects, susceptibility to external stimuli, accessibility, robustness, and a completely new range of photonic materials based on layer stacking, gating, and the formation of moiré patterns. These properties are being leveraged to develop applications in electro-optical modulation, light emission and detection, imaging and metasurfaces, integrated optics, sensing, and quantum physics across a broad spectral range extending from the far-infrared to the ultraviolet, as well as enabling hybridization with spin and momentum textures of electronic band structures and magnetic degrees of freedom. The rapid expansion of photonics with 2D materials as a dynamic research arena is yielding breakthroughs, which this Roadmap summarizes while identifying challenges and opportunities for future goals and how to meet them through a wide collection of topical sections prepared by leading practitioners.

2D materials↗

DOE OSTI2021

Hexagonal Geometries in MPACT

The MPACT code is a high-fidelity light-water reactor analysis code using whole-core pin-resolved neutron transport calculations on modern parallel-computing hardware. MPACT uses the 2D/1D method to solve 3D neutron transport problems by decomposing the problem into a stack of 2D slices, each of which is solved independently using the method of characteristics (MOC). The slices are then coupled axially using the P3 nodal expansion method (NEM-P3) for the 1D axial calculations. MPACT also employs the coarse mesh finite difference (CMFD) method to accelerate calculations. This manuscript details work supporting advanced reactor designs using hexagonal pins and hexagonal assemblies such as the VVER-1000. If performed correctly, MOC is geometry agnostic. However, MPACT previously had optimizations in place for Cartesian geometries, specifically in the modularization and current calculations. Sections 2 and 3 detail the changes made to MPACT to support MOC and CMFD calculations on hexagonal geometries. Section 4 reports results demonstrating solution consistency for problems run with and without CMFD acceleration, results demonstrating solution consistency when run in serial and parallel, and pincell results using the Monte Carlo code, McCard’s benchmark results.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS1982

NASA Redox cell stack shunt current, pumping power, and cell performance tradeoffs

The NASA Redox energy storage system is under active technology development. The hardware undergoing laboratory testing is either 310 sq. cm. or 929 sq. cm. (0.33 sq. ft. or 1.0 sq. ft. per cell active area with up to 40 individual cells connected to make up a modular cell stack. This size of hardware allows rather accurate projections to be made of the shunt power/pump power tradeoffs. The modeling studies that were completed on the system concept are reviewed along with the approach of mapping the performance of Redox cells over a wide range of flow rates and depths of discharge of the Redox solutions. Methods are outlined for estimating the pumping and shunt current losses for any type of cell and stack combination. These methods are applicable to a variety of pumping options that are present with Redox systems. The results show that a fully developed Redox system has acceptable parasitic losses when using a fixed flow rate adequate to meet the worst conditions of current density and depth of discharge. These losses are reduced by about 65 percent if variable flow schedules are used. The exact value of the overall parasitics will depend on the specific system requirements of current density, voltage limits, charge, discharge time, etc.

Hagedorn, N.↗

DOE OSTI2024

Mechanically stacked tandem photovoltaic cells with intermediate optical filters

A method of fabricating a multi-junction photosensitive device is provided. The method may include fabricating at least two photoactive layers, wherein at least one photoactive layer is fabricated on a transparent substrate, and at least one photoactive layer is fabricated on a reflective substrate, patterning at least one optical filter layer on at least one photoactive layer fabricated on a transparent substrate, and bonding the at least two photoactive layers using cold weld or van der Waals bonding. A multi-junction photosensitive device is also provided. The device may have at least two photoactive layers, and at least one optical filter layer, wherein at least two layers are bonded using cold weld or van der Waals bonding. The optical filter layer may be a Distributed Bragg Reflector.

Forrest, Stephen R.↗

DOE OSTI2022

Visually undistorted thin film electronic devices

Visually undistorted thin film electronic devices are provided. In one embodiment, a method for producing a thin-film electronic device comprises: opening a scribe in a stack of thin film material layers deposited on a substrate to define an active region and an inactive region of the thin-film electronic device, the stack comprising at least one active semiconductor layer. The active region comprises a non-scribed area of the stack and the inactive region comprises a region of the stack where thin film material was removed by the scribe. The method further comprises depositing at least one scribe fill material into a gap opened by the scribe. The scribe fill material has embedded therein one or more coloring elements that alter an optical characteristics spectrum of the inactive region to obtain an optical characteristics spectrum of the active region within a minimum perceptible difference for an industry defined standard observer.

Hammond, Scott R.↗

DOE OSTI2023

Visually undistorted thin film electronic devices

Hammond, Scott R.↗

DOE OSTI2024

Visually undistorted thin film electronic devices

Hammond, Scott R.↗

DOE OSTI2022

Polymer film heat exchanger sealing system and method

A method of manufacturing a heat exchanger array that includes stacking a plurality of heat exchanger units in an aligned configuration with respective first ports of the plurality of heat exchanger units aligned. The method can further include generating heat in the first coupling elements at the same time and at a temperature sufficient to generate a first plurality of respective couplings between adjacent sheets of adjacent heat exchanger units about adjacent first ports and without a coupling being generated between the first and second sheets of a given heat exchanger unit.

Rutkowski, Adam↗

NASA NTRS1988

Hydrogen Embrittlement And Stacking-Fault Energies

Embrittlement in Ni/Cu alloys appears related to stacking-fault porbabilities. Report describes attempt to show a correlation between stacking-fault energy of different Ni/Cu alloys and susceptibility to hydrogen embrittlement. Correlation could lead to more fundamental understanding and method of predicting susceptibility of given Ni/Cu alloy form stacking-fault energies calculated from X-ray diffraction measurements.

Parr, R. A.↗

DOE OSTI2020

AC loss and contact resistance in REBCO CORC ® , Roebel, and stacked tape cables

Abstract Many high-temperature superconductor (HTS) applications require superconducting cables with high currents while operating in an alternating magnetic field. HTS cables should be composed of numerous superconducting tapes to achieve the required current capacity. Alternating current and magnetic fields cause AC losses in such cables and can provoke conductor instability. AC losses and contact resistances were measured of several cable designs based on commercially available REBCO tapes at the University of Twente. The AC loss was measured under identical conditions for eight REBCO conductors manufactured according to three types of cabling methods—CORC ® (Conductor on Round Core), Roebel, and stacked tape, including a full-size REBCO CICC (cable in conduit conductor). The measurements were done at T = 4.2 K without transport current in a sinusoidal AC magnetic field of 0.4 T amplitude and frequencies from 5 to 55 mHz. The AC loss was measured simultaneously by calibrated gas flow calorimeter utilizing the helium boil-off method and by the magnetization method using pick-up coils. Also, the AC loss of two CORC® conductors and a Roebel cable was measured at 77 K. Each conductor was measured with and without background field of 1 T. The measured AC coupling loss in the CORC ® and Roebel conductors is negligible at 4.2 K for the applied conditions while at 77 K coupling loss was observed for all conductors. The absence of coupling loss at 4.2 K can be explained by shielding of the conductor interior; this is confirmed with measurement and calculation of the penetration field of CORC ® and Roebel cables. The inter-tape contact resistance was measured for CORC ® and stacked tape samples at 4.2 and 77 K. It was demonstrated that a short heat treatment of CORC ® conductor with solder-coated tapes activates tape-to-tape soldering and decreases the contact resistance. The reduction of contact resistance by two orders in magnitude to tens of nΩm is comparable with the interstrand contact resistance in ITER Nb 3 Sn type conductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Change-point Detection and Image Segmentation for Time Series of Astrophysical Images

Many astrophysical phenomena are time-varying, in the sense that their intensity, energy spectrum, and/or the spatial distribution of the emission suddenly change. This paper develops a method for modeling a time series of images. Under the assumption that the arrival times of the photons follow a Poisson process, the data are binned into 4D grids of voxels (time, energy band, and x-y coordinates), and viewed as a time series of non-homogeneous Poisson images. The method assumes that at each time point, the corresponding multiband image stack is an unknown 3D piecewise constant function including Poisson noise. It also assumes that all image stacks between any two adjacent change points (in time domain) share the same unknown piecewise constant function. The proposed method is designed to estimate the number and the locations of all of the change points (in time domain), as well as all of the unknown piecewise constant functions between any pairs of the change points. The method applies the minimum description length principle to perform this task. A practical algorithm is also developed to solve the corresponding complicated optimization problem. Simulation experiments and applications to real data sets show that the proposed method enjoys very promising empirical properties. Applications to two real data sets, the XMM observation of a flaring star and an emerging solar coronal loop, illustrate the usage of the proposed method and the scientific insight gained from it.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

MPACT Theory Manual (V.4.3)

This manual presents the theory underlying the three-dimensional (3D) whole-core, pin-resolved neutron transport calculation methodologies employed in the MPACT code. MPACT’s primary goal is to provide accurate sub-pin power distributions in a computationally efficient manner. To accomplish this, MPACT offers several different transport method options. The 2D/1D method, in which 3D problems are decomposed into an axial stack of radial “slices,” is currently the most commonly used. In this option, two-dimensional (2D) planar solutions are provided by the method of characteristics (MOC), and axial solutions are provided via one-dimensional (1D) approximate diffusion, or P3 solutions. The radial and axial solutions are coupled by (i) axial and radial transverse leakages, and (ii) a global 3D coarse mesh finite difference (CMFD) solve, which provides both acceleration and stability to the solution iteration scheme. The subsequent chapters of this manual present a range of topics, including MOC, CMFD, axial nodal transport solvers, 2D/1D, self-shielding, depletion, thermal-hydraulics, and transient methods. Development of the underlying theory of the 2D/1D method is presented, diagrams are included to highlight important algorithmic flow, and important concepts are discussed as appropriate. This manual is intended to be self-sufficient, but references to published articles and other materials are included for further reading. MPACT is a relatively new code, with new capabilities and many computational methods that did not exist until recently. This manual is an even newer document, with chapters written by several different code contributors working under time constraints. For these reasons, the manual is not yet complete and finalized. Future versions of this manual will address current deficiencies.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Electrochemical Control of Magnetism on the Breathing Kagome Network of Li x ScMo 3 O 8

Controlling properties within a given functional inorganic material structure type is often accomplished through tuning the electronic occupation, which is in turn dictated by the elemental composition determined at the time of material preparation. We employ electrochemical control of the lithium content, with associated electronic occupancy control, to vary the magnetic properties of a material where a kagome-derived network of Mo 3 triangles carry the spin. In this case, Li is electrochemically inserted into LiScMo 3 O 8 , a layered compound containing a breathing Mo kagome network. Up to two additional Li can be inserted into LiScMo 3 O 8 , transforming it into Li 3 ScMo 3 O 8 . Li 2 ScMo 3 O 8 prepared by electrochemical lithiation is compared to the quantum spin liquid candidate compound Li 2 ScMo 3 O 8 prepared through high-temperature solid-state methods, which has a slightly different structural stacking sequence but a similar kagome-derived network. Magnetic measurements are supported by first-principles calculations, showing that electrons remain localized on the Mo clusters throughout the doping series. As x is varied in Li x ScMo 3 O 8 , the measurements and calculations reveal the evolution from a diamagnetic band insulator at x = 1 to a geometrically frustrated magnet at x = 2, back to a diamagnetic insulator at x = 3. These results indicate a likelihood of strong coupling between the degree of Li disorder and charge/magnetic ordering over the Mo 3 clusters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1995

Antisymmetric Layup Of Precise Composite Laminates

Warping of precise composite-material (graphite-fiber/epoxy-matrix) laminated panels reduced, according to proposal, by improved combination of design and method of fabrication. Essence of proposal to stack plies during fabrication in such pattern that effects of unavoidable ply-orientation errors in individual layers cancel each other out, on whole, in final product. Emerged from study of warping of composite-material laminated face sheets undergoing development for use as lightweight substrates for precise, curved mirrors in submillimeter-wave astronomical telescopes and optical communication systems.

Rapp, Donald↗

DOE OSTI2020

Hybrid semiconductor-piezoacoustic radiofrequency device

An amplifying radiofrequency device includes a piezoelectric film and a semiconductor amplifier layer. The piezoelectric film is conformed as an acoustic waveguide. The piezoelectric film has a principal acoustic propagation direction parallel to the principal conduction direction of the amplifier layer. Interdigitated transducers are positioned on the piezoelectric film to respectively launch an acoustic wave in response to an input RF signal, and transduce the acoustic wave back to an output RF signal. There is a distance of less than the acoustic wavelength between the semiconductor amplifier layer and the piezoelectric film. The piezoelectric film has a thickness of less than the acoustic wavelength. According to a method for making such a device, a stack of III-V layers is epitaxially grown on a III-V substrate, wherein the stack comprises a first etch stop layer, a second etch stop layer, an amplifier layer, and a contact layer. The stack is bonded to a lithium niobate film. The III-V substrate is removed by etching down to the first etch stop layer. Deposition windows are opened by etching from the first etch stop layer down to the contact layer. Metal contact electrodes are deposited in the deposition windows.

36 MATERIALS SCIENCE↗

DOE OSTI2022

A novel hardmask-to-substrate pattern transfer method for creating 3D, multi-level, hierarchical, high aspect-ratio structures for applications in microfluidics and cooling technologies

Abstract This letter solves a major hurdle that mars photolithography-based fabrication of micro-mesoscale structures in silicon. Conventional photolithography is usually performed on smooth, flat wafer surfaces to lay a 2D design and subsequently etch it to create single-level features. It is, however, unable to process non-flat surfaces or already etched wafers and create more than one level in the structure. In this study, we have described a novel cleanroom-based process flow that allows for easy creation of such multi-level, hierarchical 3D structures in a substrate. This is achieved by introducing an ultra-thin sacrificial silicon dioxide hardmask layer on the substrate which is first 3D patterned via multiple rounds of lithography. This 3D pattern is then scaled vertically by a factor of 200–300 and transferred to the substrate underneath via a single shot deep etching step. The proposed method is also easily characterizable—using features of different topographies and dimensions, the etch rates and selectivities were quantified; this characterization information was later used while fabricating specific target structures. Furthermore, this study comprehensively compares the novel pattern transfer technique to already existing methods of creating multi-level structures, like grayscale lithography and chip stacking. The proposed process was found to be cheaper, faster, and easier to standardize compared to other methods—this made the overall process more reliable and repeatable. We hope it will encourage more research into hybrid structures that hold the key to dramatic performance improvements in several micro-mesoscale devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1973

Detection of S02 and N02 in Stack Plume by Raman Scattering and Fluorescence

We have been studying laser-Raman radar which can be used as the remote detector of sulfur dioxide concentration in the stack plume of boiler exhaust gas, and some results have been published. In this paper, we report the interference of nitrogen dioxide fluorescence against sulfur dioxide Raman scattering and the measuring method of sulfur dioxide and nitrogen dioxide concentration. In a stack plume, high density dust and high concentration carbon dioxide are included, therefore very strong Mie back-scattering and carbon dioxide Raman scattering are observed. The separation of these scattering signals from sulfur dioxide Raman signal was the first problem for the laser-Raman radar. But, this problem was solved by using the filter which have high resolving power. It is well known that nitrogen dioxide can be excited to emit fluorescence of broad spectrum by blue-green light. The light source of the laser-Raman radar is SH of Nd:YAG laser, and boiler exhaust gas includes several tens ppm of nitrogen dioxide, then the interference of nitrogen dioxide fluorescence brings the error to sulfur dioxide measurement. 'rhe rejection of the interference can be achieved by the subtraction of the nitrogen dioxide fluorescence contribution from detected signal at sulfur dioxide Raman scattering wavelength. The nitrogen dioxide fluorescence contribution can be measured by two methods. The first is to convert the nitrogen dioxide fluorescence intensity which is measured at a different wavelength from sulfur dioxide Raman line into the one at sulfur dioxide Raman line. The second is to convert the detected signal intensity, which is obtained when the range gate is set just behind the plume, into the one obtained at the range of the plume using the difference of the time dependence between sulfur dioxide Raman scattering and nitrogen dioxide fluorescence. Nitrogen dioxide fluorescence has lifetime of about 300nS, while Raman scattering has none. By either of the two methods, the contribution of nitrogen dioxide fluorescence is determined. Then, we can measure the nitrogen dioxide and sulfur dioxide concentration.The minimum detectable concentration and the experimental results of the remote sensing of sulfur dioxide and nitrogen dioxide in stack plume will be discussed in detail.

Nakahara, S.↗

NASA NTRS1986

Advanced IPV Nickel/Hydrogen Cell

Expansion and contraction of electrode stack accommodated to increase cycle life. Three features of advanced designs new and not incorporated but fully compatible in either contemporary cells: use of alternate methods of oxygen recombination, serrated-edge separators, and expandable stack. Designs also consider electrolyte volume requirements over life of cells and are fully compatible with state-of-the-art designs. Cells improve performance, life, and usable energy leading to lighter storage devices for low Earthorbit applications for commercial or government applications.

Smithrick, J. J.↗