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At least 217 records · Page 12

Visualization of defect induced in-gap states in monolayer MoS 2

Atomic-scale intrinsic defects play a key role in controlling functional electronic properties of two-dimensional (2D) materials. Here, we present a low-temperature scanning–tunneling microscopy and spectroscopy investigation of a common point-defect in monolayer molybdenum disulfide (MoS 2 ). We employ a sample preparation method in which the film surface is never exposed to air so that the native dangling bonds surrounding the defects in the film are preserved. Molybdenum vacancies are identified by their three characteristic in-gap resonances by combining scanning–tunneling measurements with parallel Green’s function-based theoretical modeling. The relative energy shifts between the various in-gap states allow us to identify a relative charge difference between two of the observed vacancies. The role of the substrate on the band structure of the defective MoS 2 monolayer is unveiled. Our study highlights the effects of the substrate on the in-gap states of common defects found in MoS 2 providing a pathway in designing and optimizing 2D materials for electronic applications.

36 MATERIALS SCIENCE↗

Review on Perovskite Solar Cells: From Single‐Junction Devices to Tandem Deployment in Space

Perovskite solar cells (PSCs) have emerged as a transformative photovoltaic technology, offering high power conversion efficiency (PCE) and the potential for cost-effective manufacturing. However, stability and large-scale manufacturing remain critical challenges that must be addressed for widespread adoption. This review provides a roadmap from single-junction perovskite solar cells to tandem deployment in space. First, material-level innovations are discussed, including mixed-cation and low-dimensional perovskites, transport materials, and additives that improve thermal and structural stability while enhancing efficiency. Then, we examine both established industrial standards and emerging scientific protocols aimed at stabilizing PSCs under operational conditions, including tandem cell integration strategies and encapsulation techniques to mitigate performance degradation. Manufacturing scalability is a focal point, where deposition methods and green solvents are explored to improve large-area film uniformity and reduce environmental impact. Additionally, the increasing viability of PSCs in extraterrestrial environments is assessed, with emphasis on their performance in space applications, radiation resistance, and flexible lamination methods for deployment in extreme conditions. Progress across materials innovation, device architectures, stability testing protocols, and both terrestrial and extraterrestrial applications collectively drives perovskite photovoltaics toward higher efficiency, stability, and cost-effectiveness.

flexible PSCs↗

Stability boundary and optimal operating parameter identification in milling using Bayesian learning

Here, this paper describes a novel Bayesian learning approach for stability boundary and optimal parameter identification in milling without the knowledge of the underlying tool dynamics or material cutting force coefficients. The paper is divided into two parts. First, a Bayesian learning method for stability lobe identification using test results is described. Each axial depth and spindle speed combination is characterized by a probability of stability which is updated using Bayes’ rule when a test result (stable or unstable) is made available. A novel likelihood function is defined which incorporates knowledge of the stability behavior. Numerical results show convergence to the analytical stability lobe diagram. Second, an adaptive experimental strategy to identify optimal operating parameters that maximize material removal rate is described. Numerical evaluation shows convergence to the optimal operating point with error less than 15 % within ten tests on average. The approach is validated using experimental results. Results show that the proposed method is an efficient and robust learning method to identify the stability lobe diagram and optimal operating parameters with a limited number of tests/data points.

Bayesian machine learning↗

CO 2 Laser Sintering of Garnet-Type Solid-State Electrolytes

We report the processing of garnet-type solid-state electrolytes remains challenging as densification conventionally requires high sintering temperatures and long processing times, which can result in severe Li loss, the formation of secondary phases, and thus high porosity and low ionic conductivity. Here, we report an ultrafast sintering method based on CO 2 laser scanning with the assistance of a heating stage. We demonstrate the rapid densification of low-packing-density Li 6.4 La 3 Zr 1.4 Ta 0.6 O 12 (LLZTO) films, which are difficult to densify by conventional furnace sintering methods. This unique approach has three fingerprint characteristics: (1) mitigation of Li loss through ultrafast sintering (dwelling time $\ll$1 s); (2) a unique anisotropic shrinkage behavior that greatly reduces film thickness; (3) wave-like surface topology from point scanning strategy that enables 3D interfacial contacts with electrode materials. Herein, highly dense (95.68%) and highly conductive (0.26 mS·cm –1 at 25 °C) LLZTO films are obtained through CO2 laser sintering. This work provides a unique, scalable, and widely applicable ultrarapid laser sintering technique to overcome the difficulties associated with classic methods for the integration of SSEs for practical all-solid-state Li-metal battery applications.

36 MATERIALS SCIENCE↗

Smart Refractory Sensors Development for Corrosion and Erosion Monitoring in High Temperature Systems

To optimize the operation and functioning of high temperature systems such as slagging gasifiers, coal boilers and glass/steel melters, it is important to monitor corrosion and erosion of refractory used in such systems. Corrosion test strategies are generally based on continuous gravimetric and chemical reactivity monitoring at operational temperatures (750°-1500°C). Both thermocouples and failure sensors and arrays would be useful to monitor the health of any refractory or coatings in these systems. Many of such type of sensors are installed into the systems through open access ports within the refractory; however, there are some disadvantages of this approach where corrosive/erosive gas and molten materials can penetrate and compromise the system. The current work presents the development and performance demonstration of smart refractory with embedded high temperature sensors such as thermocouples, thermistors, and various spallation/crack monitoring sensors, which may be used within a variety of refractory brick in different high temperature processes and applications. The main feature of this technology is that electroceramic based sensors are embedded into smart refractory without significantly impact to the intrinsic properties of the refractory. This technology circumvents the need to insert an isolated monolithic, stand-alone sensor into the refractory via an access port. This technological approach guarantees the integrity and the chemical stability of the materials used in the sensor fabrication within the harsh environment and does not introduce molten material (such as slag) penetration pathways within the refractory. One interesting and important aspect of this innovation is that these embedded sensors can be used to in situ monitoring processes such as chemical reactions and at the same time give information and a deeper understanding of the corrosion and erosion process of the refractory within the system. As stated above, the objective of our work is to develop high-temperature sensors composed of electroceramic materials that are chemically stable at high temperatures (750°-1500°C) and high pressures (up to 1000 psi) that can be used in monitoring corrosion and erosion process in refractory used in high energy systems. The high-temperature sensors investigated in this work were composed of various oxide composites directly embedded into the refractory oxides. The composites used for this work were synthesized by a mixed-oxide route. Metal oxides were inserted within a matrix material composed of refractory oxides (Al2O3, ZrO2, etc.). The physical and electrical properties were specifically manipulated by altering the level of percolation of the conductive species (metal oxides) within the refractory constituent (refractory oxide). Prior to the development of the high-temperature sensors, the oxides composites developed in this study were sintered up to 1600°C under oxidizing atmosphere in order to investigate densification, microstructural evolution, phase development, and their thermoelectrical performance as a function of the composition. The 4-point DC conductivity measurements were performed between 100°-1500°C. The sensors were fabricated from the composite materials by 3D-printing or screen-printing methods into the refractory brick during the consolidation process. An example of one of these embedded sensors consisted of an electroceramic-based thermocouple fabricated with two separate oxide composite compositions which were patterned to produce a couple within the interior of a refractory matrix. The thermocouple successfully displayed thermoelectric voltage trend (as a function of temperature), and the voltage was 220.0 mV around 1400 °C. Corrosion tests on the refractory embedded sensors were performed. To evaluate corrosion in the refractory brick an in-house glass composition was prepared and pressed into pellets and delivered into a pre-cut cavity in the brick. Corrosion experiments results showed the glass penetrated the brick over a 90 h period, and the penetration of the glass through the brick could be monitored by both an amperometric and voltametric based sensor. With this experiment, it was demonstrated that the embedded sensor could dynamically monitor the corrosion process.

20 FOSSIL-FUELED POWER PLANTS↗

Isothermal transitions of a thermosetting system

A study of the curing reactions of a cycloaliphatic epoxy resin/anhydride system by torsional braid analysis showed the existence of two critical isothermal temperatures - namely, the maximum glass transition temperature of the thermoset system and the glass transition temperature of the material at its gel point. Two rheologically active kinetic transitions occur during isothermal cure which correspond to gelation and vitrification. Three types of isothermal behavior occur. Methods for determining the time to gel and the time to vitrify, and also the two above-mentioned critical isothermal temperatures, have been developed. The time to gel obeyed the Arrhenius relationship, whereas the time to vitrify passed through a minimum. Application of these results to thermosetting systems in general is discussed in terms of the influence of molecular structure on the values of the critical isothermal temperatures.

Gillham, J. K.↗

Program for analysis of nonlinear equilibrium and stability (PANES)

PANES utilizes improved techniques for analysis of structures with material and geometric nonlinearities, including limit point and bifurcations behavior which occurs in buckling and collapse problems. Incremental loading, Newton-Raphson iteration, and higher order methods are used in program.

Vos, R. G.↗

Development of thermal energy storage units for spacecraft cryogenic coolers

Thermal Energy Storage Units were developed for storing thermal energy required for operating Vuilleumier cryogenic space coolers. In the course of the development work the thermal characteristics of thermal energy storage material was investigated. By three distinctly different methods it was established that ternary salts did not release fusion energy as determined by ideality at the melting point of the eutectic salt. Phase change energy was released over a relatively wide range of temperature with a large change in volume. This strongly affects the amount of thermal energy that is available to the Vuilleumier cryogenic cooler at its operating temperature range and the amount of thermal energy that can be stored and released during a single storage cycle.

Richter, R.↗

Planetary engineering

Assuming commercial fusion power, heavy lift vehicles and major advances in genetic engineering, the authors survey possible late-21st century methods of working major transformations in planetary environments. Much more Earthlike climates may be produced on Mars by generating low freezing point greenhouse gases from indigenous materials; on Venus by biological conversion of CO2 to graphite, by canceling the greenhouse effect with high-altitude absorbing fine particles, or by a sunshield at the first Lagrangian point; and on Titan by greenhouses and/or fusion warming. However, in our present state of ignorance we cannot guarantee a stable endstate or exclude unanticipated climatic feedbacks or other unintended consequences. Moreover, as the authors illustrate by several examples, many conceivable modes of planetary engineering are so wasteful of scarce solar system resources and so destructive of important scientific information as to raise profound ethical issues, even if they were economically feasible, which they are not. Global warming on Earth may lead to calls for mitigation by planetary engineering, e.g., emplacement and replenishment of anti-greenhouse layers at high altitudes, or sunshields in space. But here especially we must be concerned about precision, stability, and inadvertent side-effects. The safest and most cost-effective means of countering global warming - beyond, e.g., improved energy efficiency, CFC bans and alternative energy sources - is the continuing reforestation of approximately 2 times 107 sq km of the Earth's surface. This can be accomplished with present technology and probably at the least cost.

Pollack, James B.↗

LaRC dry powder towpreg process

The dry powder towpreg process overcomes many of the difficulties associated with melt, solution and slurry prepregging of advanced composite materials. In the process, fluidized powder is deposited on spread tow bundles and melted on the fibers by radiant heating to adhere the polymer to the fiber. Bench scale design and operating data have been correlated for use in process scale up to commercial operation. Powdered towpreg has been woven and molded into preform material of good quality. Cost estimates suggest that processing costs are comparable to those of conventional hot melt prepreg. In the future, from a part fabrication point of view, powder coated prepreg tape, woven broad goods and woven and braided preforms may be considered as options to similar materials made by other methods.

Marchello, Joseph M.↗

Involute composite design evaluation using global design sensitivity derivatives

An optimization capability for involute structures has been developed. Its key feature is the use of global material geometry variables which are so chosen that all combinations of design variables within a set of lower and upper bounds correspond to manufacturable designs. A further advantage of global variables is that their number does not increase with increasing mesh density. The accuracy of the sensitivity derivatives has been verified both through finite difference tests and through the successful use of the derivatives by an optimizer. The state of the art in composite design today is still marked by point design algorithms linked together using ad hoc methods not directly related to a manufacturing procedure. The global design sensitivity approach presented here for involutes can be applied to filament wound shells and other composite constructions using material form features peculiar to each construction. The present involute optimization technology is being applied to the Space Shuttle SRM nozzle boot ring redesigns by PDA Engineering.

Hart, J. K.↗

Raman Spectroscopy for Mineral Identification and Quantification for in situ Planetary Surface Analysis: A Point Count Method

Quantification of mineral proportions in rocks and soils by Raman spectroscopy on a planetary surface is best done by taking many narrow-beam spectra from different locations on the rock or soil, with each spectrum yielding peaks from only one or two minerals. The proportion of each mineral in the rock or soil can then be determined from the fraction of the spectra that contain its peaks, in analogy with the standard petrographic technique of point counting. The method can also be used for nondestructive laboratory characterization of rock samples. Although Raman peaks for different minerals seldom overlap each other, it is impractical to obtain proportions of constituent minerals by Raman spectroscopy through analysis of peak intensities in a spectrum obtained by broad-beam sensing of a representative area of the target material. That is because the Raman signal strength produced by a mineral in a rock or soil is not related in a simple way through the Raman scattering cross section of that mineral to its proportion in the rock, and the signal-to-noise ratio of a Raman spectrum is poor when a sample is stimulated by a low-power laser beam of broad diameter. Results obtained by the Raman point-count method are demonstrated for a lunar thin section (14161,7062) and a rock fragment (15273,7039). Major minerals (plagioclase and pyroxene), minor minerals (cristobalite and K-feldspar), and accessory minerals (whitlockite, apatite, and baddeleyite) were easily identified. Identification of the rock types, KREEP basalt or melt rock, from the 100-location spectra was straightforward.

Haskin, Larry A.↗

Determination of elastic stresses in gas-turbine disks

A method is presented for the calculation of elastic stresses in symmetrical disks typical of those of a high-temperature gas turbine. The method is essentially a finite-difference solution of the equilibrium and compatibility equations for elastic stresses in a symmetrical disk. Account can be taken of point-to-point variations in disk thickness, in temperature, in elastic modulus, in coefficient of thermal expansion, in material density, and in Poisson's ratio. No numerical integration or trial-and-error procedures are involved and the computations can be performed in rapid and routine fashion by nontechnical computers with little engineering supervision. Checks on problems for which exact mathematical solutions are known indicate that the method yields results of high accuracy. Illustrative examples are presented to show the manner of treating solid disks, disks with central holes, and disks constructed either of a single material or two or more welded materials. The effect of shrink fitting is taken into account by a very simple device.

Manson, S S↗

An Approach to Evaluate Precision and Inter-Laboratory Variability of Flammability Test Methods for Aerospace Materials

Materials selection for spacecraft is based on conventional flammability or ignition sensitivity acceptance tests. Current procedures for determining the inter-laboratory repeatability and reproducibility of aerospace materials flammability tests are not considering the dependence of data variability on test conditions and consequently attempts to characterize the precision of these methods were not successful. The inter-laboratory data variability is determined with tests conducted under arbitrary conditions, which consequently may not provide sufficient information to enable adequate determination of a method's precision. For evaluating the precision of NASA's flammability test methods, the protocol recommended includes selecting critical parameters and determining the 50% failure point by considering the specific failure criteria of each method using the critical parameter as a variable. Upon performing inter-laboratory round robin testing using this approach, the laboratories' performance could be evaluated by comparing the repeatability of the 50% failure point and/or the repeatability of critical conditions where the probabilities of passing and failing are unity, i.e., the transition zone repeatability. When a sufficient amount of data has been acquired with this method, an adequate estimation of precision of aerospace materials flammability test methods will be possible.

Hirsch, David↗

Control of polarization in bulk ferroelectrics by mechanical dislocation imprint

Defects are essential to engineering the properties of functional materials ranging from semiconductors and superconductors to ferroics. Whereas point defects have been widely exploited, dislocations are commonly viewed as problematic for functional materials and not as a microstructural tool. In this work, we developed a method for mechanically imprinting dislocation networks that favorably skew the domain structure in bulk ferroelectrics and thereby tame the large switching polarization and make it available for functional harvesting. The resulting microstructure yields a strong mechanical restoring force to revert electric field–induced domain wall displacement on the macroscopic level and high pinning force on the local level. This induces a giant increase of the dielectric and electromechanical response at intermediate electric fields in barium titanate [electric field–dependent permittivity (ε 33 ) ≈ 5800 and large-signal piezoelectric coefficient ( d 33 *) ≈ 1890 picometers/volt]. Dislocation-based anisotropy delivers a different suite of tools with which to tailor functional materials.

36 MATERIALS SCIENCE↗

Review of Dew Point Evaporative Cooling Technology for Air Conditioning Applications

Indirect evaporative cooling has the potential to significantly improve the natural environment. It follows from a significant reduction in electricity consumption in the hot period, and hence lower operating costs for cooling systems. This paper presents the current state of knowledge and research directions on dew point indirect evaporative cooling. It was found that researchers focus on the development of dew point indirect evaporative coolers (DPIEC) by improving its design, geometry, water distribution, and new porous materials implementation. To evaluate the performance of new types of DPIEC, different methods are used by the scientists. Finally, optimized devices are studied in terms of their performance in different systems, like hybrid and desiccant systems, considering different climate conditions. Potential directions of development of evaporative technologies were indicated, such as increasing the coefficient of performance of solid desiccant evaporative cooling systems, developing novel geometry, and efficient water distribution, including development of porous materials.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Use of shape-preserving interpolation methods in surface modeling

In many large-scale scientific computations, it is necessary to use surface models based on information provided at only a finite number of points (rather than determined everywhere via an analytic formula). As an example, an equation of state (EOS) table may provide values of pressure as a function of temperature and density for a particular material. These values, while known quite accurately, are typically known only on a rectangular (but generally quite nonuniform) mesh in (T,d)-space. Thus interpolation methods are necessary to completely determine the EOS surface. The most primitive EOS interpolation scheme is bilinear interpolation. This has the advantages of depending only on local information, so that changes in data remote from a mesh element have no effect on the surface over the element, and of preserving shape information, such as monotonicity. Most scientific calculations, however, require greater smoothness. Standard higher-order interpolation schemes, such as Coons patches or bicubic splines, while providing the requisite smoothness, tend to produce surfaces that are not physically reasonable. This means that the interpolant may have bumps or wiggles that are not supported by the data. The mathematical quantification of ideas such as physically reasonable and visually pleasing is examined.

Ftitsch, F. N.↗

Remote Recession Measurements of Wire-Seeded PICA Samples in an Arc-Jet Flow

Various methods for remote recession sensing of PICA have been developed and several seeding methods have been tested. The most recent method involved seeding the ablator with wires fed to the sample from the backside with a defined amount of PICA left towards the upstream front of the sample. This seed method mimics the installation of in-depth thermocouples as they are frequently used in ground testing and flight. Arc-jet tests were conducted in the NASA Langley HYMETS facility at a heat flux of 320 W/sq.cm. The emission of the post-shock layer was observed in spectral resolution from the side along an optical axis perpendicular to the arc-jet flow and from the front, looking at the sample surface from an upstream position. Various metallic seed materials with different melting points were used. In addition to the emission spectroscopy measurements, the samples were monitored during the tests through pyrometry and videography. The time resolved response of the seeded material is described and compared to earlier tests with different seeding methods. The combination of seed materials was found to be critical for the selection of emission signatures characteristic for the material recession which can be isolated in the final emission spectra.

Winter, Michael↗