Optimization through classical design of experiments (DOE): An investigation on the performance of different factorial designs for multi-objective optimization of complex systems
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Janković, Aleksandar (ORCID:0000000160626652)↗
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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Thermal performance and energy consumption validation of an occupied local government office building outfitted with ceiling tile phase change materials
Buildings present an opportunity for energy conservation and the modulation of peak energy demand through controlled Heating, Ventilation, and Air Conditioning (HVAC) energy use. The administrative and office building stock in the United States holds potential to achieve energy and demand savings through retrofits such as insulation, weatherization, and thermal energy storage. Specifically, there is a need to validate passive phase change material (PCM) applications in full scale in aging administrative buildings in the US to evaluate the energy benefits. Aim of this study was to conduct a whole building level thermal and energy validation of an operational building and explore an alternative method for evaluating energy efficiency. To accomplish this, the study employed PCMs in the drop ceiling and carry out an energy audit and on-site measurement of HVAC systems' energy demand and consumption. A full-scale EnergyPlus energy model, modeled by the authors, served as a baseline for evaluation. The results show that calibrated model's envelope temperature measures fall within the accepted errors. HVAC energy simulation results also fall within the accepted errors for monthly and hourly pre- and post- PCM retrofit electricity and natural gas data. The novelty of this study is that it employees energy scales per Heating Degree Hour and Cooling Degree Hour, in contrast to the commonly used Heating Degree Days and Cooling Degree Days as reported in the literature to analyze energy savings. These findings underscore the pivotal role of a calibrated model in assessing the efficacy of a singular energy measure, like a PCM-retrofitted ceiling, in an occupied office building.
32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
Single-source pulsed laser-deposited perovskite solar cells with enhanced performance via bulk and 2D passivation
Single-source vapor deposition of halide perovskites has, to date, remained challenging due to the dissimilar volatilities of the precursors, limiting the controlled transfer of multiple elements at once. Here, we demonstrate that pulsed laser deposition (PLD) addresses the rate-control challenges of single-source evaporation, enabling perovskite solar cells with power conversion efficiencies above 19% after passivation. Combining dry mechanochemical synthesis and PLD, we fabricated (Cl-passivated) MA1−xFAxPbI3 films from a single-source target. These films grow on hole-selective self-assembled monolayers, initially forming a thin PbI2-rich layer, which fully converts to perovskite. An oleylammonium iodide (OAmI) post-treatment is then applied to passivate the perovskite’s top surface by forming a 2D perovskite film. Incorporating PbCl2 in the target and applying OAmI-based 2D passivation results in a remarkable 19.7% efficiency for p-i-n perovskite solar cells with enhanced device stability. This highlights the appeal of PLD to fully unlock the potential of single-source vapor-deposited perovskites.
Soto-Montero, Tatiana↗
Enhanced performance of Bi 2 S 3 /TiO 2 heterostructure composite films for solar cell applications
Day to day energy production is shifting towards renewable energy sources as these sources become more economically viable while being less polluting to operate; solar energy has become one of the major sources of renewable energy. However, it currently relies on ultra-pure silicon ingots to produce commercial silicon photovoltaics, which prevents the cost of electricity being produced to compete with non-renewable energy production. A viable low-cost alternative for silicon based cells would be dye-sensitized solar cells (DSSCs), which are easier and cheaper to manufacture as they do not require expensive and delicate raw materials to make. Moreover, they could be made semi-flexible which allows for a greater variety of applications. A DSSC consists of three components, a photo-electrode, an electrolyte and a counter-electrode. When exposed to incident light, the complex photosensitizers in the photoelectrode release electrons which are transported to the external load, leaving the photoelectrode in an oxidized state. The electrons are collected by the counter electrode and used to reduce the electrolyte. This charged electrolyte then reduces the positively charged photoelectrode, allowing the process to begin again. To improve the efficiency of this process, we explore the use of bismuth sulfide (Bi 2 S 3 ) and titanium oxide (TiO 2 ) composite as photoelectrode material and investigate their impact on the efficiency of DSSC.
14 SOLAR ENERGY↗
High performance porous Si anode enabled by an organic-solvent assisted etching process
Silicon (Si) is a promising anode for the next generation of lithium-ion batteries, but its large volume changes (~300 %) during cycling hindered its practical applications. One method to improve its stability is to etch micron sized Si/SiO 2 particles to form porous Si (p-Si) and accommodate volume changes internally. However, the conventional HF etching method generates excess gas/heat and is difficult to scale up. Herein, we developed an organic-solvent-assisted HF etching process (O-HF) using a mixture of benzene and saturated HF aqueous solution. The organic solvent can be preferentially absorbed on the surface of Si/SiO 2 powder so etching rate of SiO 2 can be controlled to avoid rapid gas/heat generation. This method can also prevent over-etching of Si by minimizing direct contact/react between water and newly exposed Si. Si||NMC622 cells using carbon coated p-Si particles prepared by optimized O-HF etching process demonstrate a capacity retention of 82.0 % after 500 cycles, which is much better than those prepared by conventional HF etching (73.7 %). The thickness of Si anode increases only ~10 % during the initial lithiation, which is comparable with those of graphite anode. In conclusion, the O-HF etching strategy developed in this work can also be applied to the etching of a broad range of materials.
HF etching↗
The structure, composition, and performance impact of a YSZ-GDC interdiffusion layer in solid oxide electrolysis cells
This study provides a combined experimental and computational investigation into the structure and impact of the cation interdiffusion layer that appears at the gadolinium doped ceria (GDC)/yttria stabilized zirconia (YSZ) interface in solid oxide electrolysis cells (SOECs). Scanning transmission electron microscopy (STEM) illustrates that a ∼0.4 μm interdiffusion layer (IDL) with an intermixed cation distribution and fine grain size forms upon sintering. STEM identifies that the interdiffusion layer exists in the cubic fluorite structure despite changes in cation composition. The interdiffusion layer microstructure formed during sintering does not change during SOEC testing at either 1.3V or heightened voltage pulse testing. Modeling predicts that ionic conductivity may decrease in the interdiffusion layer due to Coulombic trapping between mobile oxygen vacancies and excess Gd 3+ acceptor dopants. Yet, the density and continuous nature of the layer should benefit cell stability by substantially reducing the formation of SrZrO 3 , which is corroborated by STEM and Synchrotron X-ray diffraction (XRD). We conclude that the interdiffusion layer acts as a beneficial barrier to Sr diffusion, when operating in a regime where electrolyte void formation is not observed.
organic↗
Heterogeneous catalysis: Optimal performance at a phase boundary?
Most of the industrially used heterogeneous catalysts have been discovered by trial and error, and despite decades of experience, the discovery of new catalysts continues to be extremely challenging. The drive to uncover guiding principles in catalyst design is more present than ever. We share a series of observations indicating that optimal catalysts typically function at characteristic phase boundaries (e.g., abrupt changes in adsorbate coverage, catalyst structure, etc.) accessed in the reaction conditions. The catalyst exploits the associated instability—the desire to exist in multiple states simultaneously—as a driving force for chemical transformations. In other words, phase boundaries are good places to start the catalyst search, and indeed, we should focus on at least two phases at once rather than just one. Here, we substantiate this claim with several studies that combine statistical operando modeling and experiments. Transpiring from these observations is a hitherto unrecognized vector in catalyst discovery.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Phase transition in two-dimensional monolayer (1L)-molybdenum disulfide induced by atomic S-basal plane gliding via synchrotron X-ray monochromatic beam radiation for superior electronic performance
Here, in this work, we report a novel approach to reduce the channel resistance by inducing a phase transition behavior from 2H to 1T in a monolayer MoS 2 (1L-MoS 2 ) by a synchrotron X-ray monochromatic beam (mono-beam) radiation. The effects of the biphase structure by the mono-beam on the 1L-MoS2 film were investigated using Raman spectra, photoluminescence (PL) spectra, scanning tunneling microscopy, and scanning tunneling spectroscopy, respectively. Through material characterization, we identified that the lateral sliding of S-vacancies along the S-plane in the 1L-MoS 2 is the key reason for the origin of unidirectional phase transition. The precise phase engineering triggered by the mono-beam radiation process allows the realization of field-effect transistors (FET) with 2X improvement in mobility toward a high on/off ratio (~10 8 ) and a near-ideal subthreshold swing of ~88 mV per decade. The validity of the phase engineering could be further extended for its application as a memory device, exhibiting a gate tunable conduction modulation behavior and a high resistance ratio of ~10 2 at a gate bias of 5 V with endurance of ~100 cycles. Furthermore, an artificial neural network using the synaptic weight update with accuracy of ~93 % was achieved.
36 MATERIALS SCIENCE↗
Leveraging molecular scale free volume generation to improve gas separation performance of carbon molecular sieve membranes
Not Available
Schlosser, Steven (ORCID:0009000715745936)↗
Chromium enhances the mechanical performance of 3d transition metal high entropy alloys
A comprehensive examination of the compositional effects on the deformation behavior of high entropy alloys (HEAs) was conducted through nanoindentation, indentation creep, and stress relaxation experiments at ambient temperature. The alloys investigated included NiCoFe, NiCoCr, NiCoCrFe, and NiCoCrFeMn, all of which underwent identical thermomechanical processing. From the experimental results, NiCoCr exhibited the highest maximum shear stress for dislocation nucleation (13 GPa) and nanoindentation hardness (3.8 GPa) among the alloys tested. It also showed the lowest stress sensitivity (0.02) and activation volume (3–4 b 3 ) under creep and stress relaxation conditions, indicative of its superior plastic flow properties. Density functional theory (DFT) calculations further revealed an uneven charge density and larger bonding-length variation in NiCoCr due to the presence of Cr, which increased lattice distortion, impeding dislocation movement. Furthermore, in this study, post-deformation microscopy using transmission electron microscopy (TEM) revealed a high density of stacking faults and twins in NiCoCr that effectively enhanced its creep strength. The results highlight the significance of specific elemental effects, particularly from Cr in this study, over configurational entropy effect (i.e., compositional complexity) in governing the deformation microstructure and mechanical properties of HEAs. Finally, these insights will be instrumental for the design and optimization of advanced alloys for load-bearing applications.
36 - MATERIALS SCIENCE↗
Dynamic condensation model of rolling droplets for high-performance heat transfer
Condensation is a critical process during vapor-liquid phase change in relation to heat transfer. To achieve a high heat transfer coefficient, the classical model for dropwise condensation requires a low contact angle and low contact angle hysteresis, failing to align with experimental observations on a hydrophobic and slippery quasi-liquid surface (QLS). Here, we report a dynamic condensation model that incorporates high-frequency condensate removal by emphasizing the role of timescale during droplet growth and shedding. Our model agrees well with the experimental result that a surface with high contact angle and low contact angle hysteresis promotes condensation, particularly during rolling-propelled condensate removal. Particle image velocimetry reveals that rolling droplets on a hydrophobic QLS exhibit 4-fold higher shedding speeds than the sliding droplets on a hydrophilic QLS, leading to significant heat transfer enhancement. This work deepens our theoretical understanding of condensation heat transfer and provides advanced physics-informed design rationales for water and energy systems.
42 ENGINEERING↗
Investigation of correlations between spectral phase fluctuations of the laser pulse and the performance of an LPA
Not Available
Kohrell, Finn (ORCID:0009000925800470)↗
Sub-THz passive detector performance evaluation with RadiaBeam photoinjector
Wakefield accelerators, based on THz and mm-wave structures, promise to reach the highest energies in record small footprints. However, operation at such frequencies is associated with strong generation of dipole modes that can destroy the beams, which requires controlling the electron beam position at the micron scale. The existing conventional techniques for electron beam position monitoring are not applicable for sub-THz structures due to the space constraints. Here, on the other hand, if dipole modes amplitudes can be measured precisely at different planes, one can derive beam position relative to the central axis. For such a technique a reliable and cost-effective sensor capable of operating in high repletion rate regime is required. In this paper we review the experimental evaluation of a passive sensor candidate for such applications using RadiaBeam 4.5 MeV photoinjector.
Accelerator↗
Performance of neutron and proton irradiated AC-LGAD sensors
Characterization of strip and pixel AC-LGAD devices with both laser TCT and probe station (IV/CV) will be shown on AC-LGADs irradiated with 1 MeV reactor neutrons at JSI/Ljubljana and with 400 MeV protons at FNAL ITA to fluences from 1e13~$n_{eq}/cm^2$ to a few times 1e15~$n_{eq}/cm^2$. This study was conducted within the scope of the ePIC detector time of flight (TOF) layer R&D program at the EIC, which will feature AC-LGADs with strip and pixel geometry. Sensors in the TOF layer will receive up to 1e13 $n_{eq}/cm^2$ fluence over the lifetime of the experiment.
AC-LGAD strips↗
Hydraulic performance and wave transmission through nature-inspired perforated hollow-base piles breakwater
Nature-based Solutions (NbS) are critical to achieving long-term sustainable coastlines in deltaic coastlines, particularly susceptible to severe impacts under climate change. In recent years, coastal erosion has accelerated in the Vietnam Mekong Delta (VMD), particularly in the West Sea (from Ca Mau to Kien Giang). Due to the characteristics of muddy coastlines and eroded mangrove forests in this region, only a few engineering solutions have effectively reduced waves and promoted sediment accumulation to facilitate beach accretion. However, these solutions require significant investment and cannot be relocated or reused. Therefore, this study introduces a coastal mangrove-inspired perforated hollow-base piles breakwater (PHBPB), which uses the principle of biomimicry by studying the ability of mangrove groups to protect the coastline, stimulate sediment deposition, and over time, restore mangrove forests in the VMD. The hydraulic parameters of PHBPB were tested in 260 scenarios using a physical model, which included varying parameters such as crest width (B), pile row numbers (n c ), crest freeboard (R c ), and wave parameters (H s , T p ) in determining the capabilities of wave transmission, reflection, and wave dissipation. The results showed that the process of wave energy dissipation through perforated hollow-base breakwaters without piles (PHBBWP) is governed by three main parameters, including the relative water depth of the crest (R c /H m0,i ), the relative width of the crest (B/H m0,i ), and the wave slope at the structure location (s m = H m0,i /L m ). In contrast, for PHBPB, the primary influencing factors are the relative submergence depth or the length of the submerged pile portion (R c /H m0,i ) and the relative width of the pile system (X b /L m ). Finally, the hollow structure is suitable for the soft, weak mud geology in this region with poor load-bearing capacity, allows for rapid installation, is reasonably cost-effective, and can be relocated and reused once regeneration has been completed in each stretch of coastline.
54 ENVIRONMENTAL SCIENCES↗
Organic glass scintillators: Material properties, performance characterization, and applications
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Pozzi, S.A.↗
Conversion of real-world aluminum scrap streams into high-performance Al–Mg–Si–Cu automotive alloys using shear assisted processing and extrusion
The conversion of post-consumer aluminum (Al) scrap into usable Al alloys without adding primary Al is challenging because of excess impurities. In this work, >99% post-consumer Twitch, used beverage cans (UBCs), and remelt scrap ingots (RSIs) were used as feedstock materials. As-cast and solution heat-treated feedstock billets were extruded using Shear Assisted Processing and Extrusion (ShAPE) at ~510°C, followed by press quenching. To explore the development of the microstructure, texture, and underlying mechanisms and how they contribute to the overall strengthening in as-extruded and artificially aged samples, scanning electron microscopy (SEM) and electron backscatter diffraction (EBSD) were used to collect microstructure and texture data. The enhanced strength and ductility were corroborated with the microstructural features and crystallographic texture. Simple shear $\textrm{A}/\bar{\textrm{A}}$, $\textrm{A}_1^*/\textrm{A} _2^*$ texture components along with weak $\textrm{C}$ and $\textrm{B}/\bar{\textrm{B}}$ texture components were formed during extrusion; the texture was strengthened after heat treatment. The refined second-phase particles helped to retain the deformed microstructure and texture. The contributions of dislocation and precipitate strengthening were maximized when billets were solution-heat-treated prior to extrusion. This is attributed to the formation of effective supersaturated solid solutions during the ShAPE process, which precipitate out during the peak age treatment. Overall, the highest yield strength of 305 MPa, ultimate tensile strength of 350 MPa, and elongation of 12% were achieved in artificially aged samples, which are comparable to those of Al 6082-T6.
Al alloy↗