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At least 577 records · Page 32

Effect of Solvents on Lignin–Surface Interactions via Molecular Dynamics Simulations

Lignin, an essential building block of lignocellulosic biomass, is a potential abundant source of aromatic monomers for the polymer and chemical industry. Reductive catalytic fractionation (RCF) is one promising process that can produce high yields of phenolic monomers and oligomers from lignin under different catalytic conditions. An important choice in optimizing RCF is the selection of solvent; however, detailed insights into solvent effects on lignin behaviors and interactions remain limited. Here, in this work, we perform all-atom molecular dynamics simulations to study the solvation of lignin, solvent-mediated conformational changes, and the interaction of solvated lignin oligomers with model surfaces. We focus on the behavior of an oligomeric lignin model compound in methanol, ethanol, a binary mixture of ethanol and water, and water at both the RCF reaction temperature (473 K) and room temperature. Analysis of structural features of lignin suggests that these three organic solvent systems favorably solvate lignin, resulting in a more extended conformation suitable for catalytic conversion to valuable chemicals. We further introduce model palladium (Pd) and carbon (C) surfaces to understand how solvent choice impacts adsorption onto a representative catalytic surface and support, and to quantify the competition among the reactant and solvent molecules for the surface. Unbiased simulations suggest strong adsorption of lignin on both Pd and C surfaces at 473 K, with notable solvent-mediated differences in adsorption energies. Additionally, our findings indicate that lignin adsorption is promoted by the entropy change resulting from the displacement of solvent molecules from the surface. This study provides a molecular perspective of adsorption of lignin onto varying surfaces, which is a step towards understanding and optimizing the catalytic conversion of lignin into valuable chemicals.

adsorption↗

Advances in Uncertainty and Sensitivity Analysis Methods and Applications in GDSA Framework.

The Spent Fuel and Waste Science and Technology (SFWST) Campaign of the U.S. Department of Energy (DOE) Office of Nuclear Energy (NE), Office of Fuel Cycle Technology (FCT) is conducting research and development (R&D) on geologic disposal of spent nuclear fuel (SNF) and high-level nuclear waste (HLW). Two high priorities for SFWST disposal R&D are design concept development and disposal system modeling. These priorities are directly addressed in the SFWST ''Geologic Disposal Safety Assessment'' (GDSA) control account, which is charged with developing a geologic repository system modeling and analysis capability, and the associated software, ''GDSA Framework'', for evaluating disposal system performance for nuclear waste in geologic media. ''GDSA Framework'' is supported by SFWST Campaign and its predecessor the Used Fuel Disposition (UFD) campaign. This report fulfills the GDSA Uncertainty and Sensitivity Analysis Methods work package (SF-20SN01030403) level 3 milestone — ''Advances in Uncertainty and Sensitivity Analysis Methods and Applications in GDSA Framework'' (M3SF-20SN010304032). It presents high level objectives and strategy for development of uncertainty and sensitivity analysis tools, demonstrates uncertainty quantification (UQ) and sensitivity analysis (SA) tools in GDSA Framework in FY20, and describes additional UQ/SA tools whose future implementation would enhance the UQ/SA capability of ''GDSA Framework''. This work was closely coordinated with the other Sandia National Laboratory GDSA work packages: the GDSA Framework Development work package (SF- 2051\101030404), the GDSA Repository Systems Analysis work package (SF-2051\101030405), and the GDSA PFLOTRAN Development work package (SF-20SN01030406). This report builds on developments reported in previous ''GDSA Framework'' milestones, particularly M2SF- 19SNO1030403.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

AI-Driven Smart Community Control for Accelerating PV Adoption and Enhancing Grid Resilience

The U.S. Department of Energy (DOE) has launched a Connected Communities program that supports projects that expand DOE's network of grid-interactive, efficient building communities nationwide. As an early pilot of Connected Communities, the National Renewable Energy Laboratory (NREL) and its partners have developed and demonstrated a community-scale, hierarchical control solution to address the potential grid issues arising from high penetration of solar photovoltaics (PV) as well as to improve grid reliability and resilience in this residential community. A field pilot study has been performed at an affordable housing development called the Basalt Vista Community, which was built for school teachers and other professionals in the local workforce and represents an autonomous energy grid with all-electric, energy-efficient homes. With no natural gas line in the community, this is the first all-electric net-zero community in rural Colorado. In the field pilot study, NREL has validated the performance of the hierarchical control solution, which consists of NREL's foresee home energy management systems (HEMS) and community aggregators, in increasing demand flexibility and self-consuming PV, reducing potential over-voltages, and supporting critical loads during emergency events. In this presentation, we will present the methodology, simulation and field pilot results, and lessons learned from the project.

all-electric community↗

2019 accomplishments: degradation of mechanical properties in structural metals and welds for FTS reservoirs

This report documents work in 2019 at SRNL in support of the Aging and Lifetimes program. Specimens for fracture toughness testing were prepared in prior years by thermally pre-charging samples, provided by Sandia National Laboratories, of welded types 304L and 21-6-9 stainless steels. These samples were pre-charged in 2017. The fracture toughness of the first aged specimens was measured and compared to historical data. The measurements of the 304L and 21-6-9 weld and particularly HAZ represent some of the first fracture data relevant to modern GTS reservoirs. This work represents an on-going collaboration between SRNL and SNL to understand tritium embrittlement of structural metals in Gas Transfer System reservoirs which informs lifetime assessments. Continued testing was conducted on ongoing historical studies, including the effects of very long-term aging, and the relative performance of differently forged stockpile relevant 304L and 316L samples. New samples were pre-charged with tritium and placed in a freezer for an aging study to allow helium to build into the material. The precharged samples consist of smooth and notched tensile samples of 304L stainless steel, as well as tube tensile samples of different thermal treatments supplied by Sandia National Laboratories. Their charging marks the beginning of a new sequence of studies to explore fundamental deformation mechanisms underpinning tritium embrittlement. At predesignated times, samples will be removed from aging and tested to provide data which will help develop an understanding of material degradation with increasing aging time. Also documented is progress in employing various advanced characterization techniques including high resolution electron microscopy, thermally programed desorption, and small angle x-ray scattering, as well as facilities renovations and equipment procurements in support of sustained tritium impacts on materials program at SRNL.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Microstructure and Mechanical Properties of Scaled Thermally Aged LPBF 316H SS Builds

As part of the US Department of Energy’s Advanced Materials and Manufacturing Technologies program’s mission to accelerate qualification of advanced manufacturing pathways for nuclear applications, laser powder bed fusion (LPBF) 316H stainless steel (SS) has been selected as a model system to develop a rapid code case framework. This effort directly addresses the grand challenges of (1) expanding the limited portfolio of materials currently codified for elevated-temperature nuclear structural service under Section III, Division 5 of the American Society of Mechanical Engineers’ Boiler and Pressure Vessel Code; and (2) significantly reducing qualification timelines that traditionally exceed a decade. The strategic importance of LPBF 316H lies in its immediate industrial relevance, existing data foundation from wrought 316H, and alignment with ongoing code case development for LPBF 316L. Prior work revealed accelerated precipitation of deleterious secondary phases and reduced creep ductility in as-printed LPBF 316H. Building on that prior research, FY 2025 activities focused on establishing an understanding of the key failure mechanisms of crept 316H specimens to aid in code case development and on evaluating stress relief (SR) parameters on the high-temperature performance and thermal aging induced degradation of tensile and fracture behavior in LPBF 316H.

36 MATERIALS SCIENCE↗

Building surrogate models of nuclear density functional theory with Gaussian processes and autoencoders

From the lightest Hydrogen isotopes up to the recently synthesized Oganesson (Z = 118), it is estimated that as many as about 8,000 atomic nuclei could exist in nature. Most of these nuclei are too short-lived to be occurring on Earth, but they play an essential role in astrophysical events such as supernova explosions or neutron star mergers that are presumed to be at the origin of most heavy elements in the Universe. Understanding the structure, reactions, and decays of nuclei across the entire chart of nuclides is an enormous challenge because of the experimental difficulties in measuring properties of interest in such fleeting objects and the theoretical and computational issues of simulating strongly-interacting quantum many-body systems. Nuclear density functional theory (DFT) is a fully microscopic theoretical framework which has the potential of providing such a quantitatively accurate description of nuclear properties for every nucleus in the chart of nuclides. Thanks to high-performance computing facilities, it has already been successfully applied to predict nuclear masses, global patterns of radioactive decay like β or γ decay, and several aspects of the nuclear fission process such as, e.g., spontaneous fission half-lives. Yet, predictive simulations of nuclear spectroscopy—the low-lying excited states and transitions between them—or of nuclear fission, or the quantification of theoretical uncertainties and their propagation to basic or applied nuclear science applications, would require several orders of magnitude more calculations than currently possible. However, most of this computational effort would be spent into generating a suitable basis of DFT wavefunctions. Such a task could potentially be considerably accelerated by borrowing tools from the field of machine learning and artificial intelligence. In this paper, we review different approaches to applying supervised and unsupervised learning techniques to nuclear DFT.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Data-driven Alignment of the Tracker for the Mu2e Experiment

An alignment of the Mu2e Tracker is investigated using the Mu2e Offline Software and Millepede-II. Simulated misalignments of Tracker planes were inserted between Monte-Carlo event generation and before reconstruction using randomly generated $(x,y,z)$-translations and rotations of the rigid-body planes in the detector model. Cosmic ray muons, with no magnetic field present in the Detector Solenoid, will follow a straight-line trajectory. A maximum-likelihood fit is used to reconstruct a track and determine its parameters. Tracks traversing at least four planes, with ten registered straw hits, and a maximum time residual of $20$ ns are selected to be used in an alignment sample. The cuts were chosen to discard tracks with low information content, such as those with high levels of multiple scattering or those with low numbers of measurements contributing to a single track fit. Millepede-II produces the resulting alignment constants according to a simultaneous least-squares fit of the alignment parameters and the track parameters for all input tracks. The improved alignment constants are used to repeat the process and recover an increased number of suitable tracks, further improving the estimate of the alignment constants in subsequent iterations. A performance study of the process was conducted on a misaligned Tracker in the case of translation-only, and translation plus rotational misalignments. In both cases, the correct alignment constants were recovered to within statistical error after three global fit iterations. Additionally, a continuous integration system was developed for the \texttt{Mu2e/Offline} GitHub repository, introducing a convenient automated testing process for all proposed changes (``pull requests"). The tests developed included a full build of the software, followed by tests of the validation routines, geometry overlap checking, and multi-threading mode. Additionally, code quality checks and low-statistics physics comparison checks a re also available.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Development, Monitoring, and Control of Fracture Thermal Energy Storage in Crystalline Rock Formations (DEMO-FTES) [Abstract]

Approximately half of global energy consumption is used for heating and cooling. Because fossil fuels are used to meet most of this demand, heating and cooling of buildings produces a large portion of global greenhouse gas (GHG) emissions. The proposed project seeks to demonstrate the feasibility of a seasonal thermal energy storage concept called fracture thermal energy storage (FTES), which has the potential to dramatically lower energy requirements for heating and cooling and improve the resilience of building energy systems. FTES is a technique for building a highly efficient heat exchanger by creating a carefully designed set of fractures in the ground below a building. This heat exchanger allows thermal energy to be stored over seasonal timeframes—for example, hot thermal energy that is easily captured in the summer or energy from waste heat sources—to meet heating needs during colder months. FTES offers a solution with a relatively small footprint and lower cost compared to currently operating aquifer thermal energy storage (ATES) systems and could be used in the many areas without aquifers suitable for ATES. If commercialized, FTES systems could exceed the 2.5 TWh of energy storage per year from the more than 2,800 ATES systems in operation worldwide, which range from 0.1 MW to 30 MW. The savings in CO2 emissions per year are also expected to match or exceed individual ATES projects, with the largest, a 30 MW system used to provide heating and cooling to the University of Technology in Eindhoven in the Netherlands, estimated to save 13,000 tons of CO2 emissions per year. FTES utilizes mature drilling and fracturing technology and therefore has the potential to be rapidly commercialized once demonstrated. The ability to construct and establish flow through an FTES heat exchanger has been demonstrated by a previous project and the potential for efficient, large-capacity energy storage has been shown using numerical models. However, no experimental validation of these numerical estimates of thermal energy storage has been made. The first crucial need to advance FTES technology is to identify the sensitivity of key metrics such as thermal energy storage and production rates, capacities, and efficiencies to design parameters such as the number of fractures, depth/temperature of fractures, size of fractures, and circulation rates. The second crucial need is experimental testing of achievable thermal performance with optimized system design parameters. The proposed scope of work seeks to systematically address these two critical needs through a highly complementary international collaboration spanning theory, laboratory, and mesoscale field evaluation. The proposed work plan calls for using dimensional analysis and existing state-of-the-art numerical simulators to design carefully scaled laboratory and 10-meter-scale field tests of the thermal efficiency of FTES. The existing advanced laboratory and intermediate-scale field testbeds that will be used for this project will allow for detailed monitoring of the system performance during the test and of how the performance changes across time and length scales. These results will determine the feasibility of full- scale FTES systems. If the thermal performance is consistent with model predictions, the results will provide a strong economic justification for rapid commercialization of FTES technology in a wide range of geographical areas.

25 ENERGY STORAGE↗

Long-Range Exciton Diffusion in Two-Dimensional Assemblies of Cesium Lead Bromide Perovskite Nanocrystals

Förster resonant energy transfer (FRET)-mediated exciton diffusion through artificial nanoscale building block assemblies could be used as an optoelectronic design element to transport energy. However, so far, nanocrystal (NC) systems supported only diffusion lengths of 30 nm, which are too small to be useful in devices. In this work, we demonstrate a FRET-mediated exciton diffusion length of 200 nm with 0.5 cm 2 /s diffusivity through an ordered, two-dimensional assembly of cesium lead bromide perovskite nanocrystals (CsPbBr 3 PNCs). Exciton diffusion was directly measured via steady-state and time-resolved photoluminescence (PL) microscopy, with physical modeling providing deeper insight into the transport process. This exceptionally efficient exciton transport is facilitated by PNCs' high PL quantum yield, large absorption cross section, and high polarizability, together with minimal energetic and geometric disorder of the assembly. This FRET-mediated exciton diffusion length matches perovskites' optical absorption depth, thus enabling the design of device architectures with improved performances and providing insight into the high conversion efficiencies of PNC-based optoelectronic devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Comparative evaluation of analogue front-end designs for the CMS Inner Tracker at the High Luminosity LHC

The CMS Inner Tracker, made of silicon pixel modules, will be entirely replaced prior to the start of the High Luminosity LHC period. One of the crucial components of the new Inner Tracker system is the readout chip, being developed by the RD53 Collaboration, and in particular its analogue front-end, which receives the signal from the sensor and digitizes it. Three different analogue front-ends (Synchronous, Linear, and Differential) were designed and implemented in the RD53A demonstrator chip. A dedicated evaluation program was carried out to select the most suitable design to build a radiation tolerant pixel detector able to sustain high particle rates with high efficiency and a small fraction of spurious pixel hits. The test results showed that all three analogue front-ends presented strong points, but also limitations. The Differential front-end demonstrated very low noise, but the threshold tuning became problematic after irradiation. Moreover, a saturation in the preamplifier feedback loop affected the return of the signal to baseline and thus increased the dead time. The Synchronous front-end showed very good timing performance, but also higher noise. For the Linear front-end all of the parameters were within specification, although this design had the largest time walk. This limitation was addressed and mitigated in an improved design. The analysis of the advantages and disadvantages of the three front-ends in the context of the CMS Inner Tracker operation requirements led to the selection of the improved design Linear front-end for integration in the final CMS readout chip.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

MetaboDirect: an analytical pipeline for the processing of FT-ICR MS-based metabolomic data

Background: Microbiomes are now recognized as the main drivers of ecosystem function ranging from the oceans and soils to humans and bioreactors. However, a grand challenge in microbiome science is to characterize and quantify the chemical currencies of organic matter (i.e., metabolites) that microbes respond to and alter. Critical to this has been the development of Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS), which has drastically increased molecular characterization of complex organic matter samples, but challenges users with hundreds of millions of data points where readily available, user-friendly, and customizable software tools are lacking. Results: Here, we build on years of analytical experience with diverse sample types to develop MetaboDirect, an open-source, command-line-based pipeline for the analysis (e.g., chemodiversity analysis, multivariate statistics), visualization (e.g., Van Krevelen diagrams, elemental and molecular class composition plots), and presentation of direct injection high-resolution FT-ICR MS data sets after molecular formula assignment has been performed. When compared to other available FT-ICR MS software, MetaboDirect is superior in that it requires a single line of code to launch a fully automated framework for the generation and visualization of a wide range of plots, with minimal coding experience required. Among the tools evaluated, MetaboDirect is also uniquely able to automatically generate biochemical transformation networks (ab initio) based on mass differences (mass difference network-based approach) that provide an experimental assessment of metabolite connections within a given sample or a complex metabolic system, thereby providing important information about the nature of the samples and the set of microbial reactions or pathways that gave rise to them. Finally, for more experienced users, MetaboDirect allows users to customize plots, outputs, and analyses. Conclusion: Application of MetaboDirect to FT-ICR MS-based metabolomic data sets from a marine phage-bacterial infection experiment and a Sphagnum leachate microbiome incubation experiment showcase the exploration capabilities of the pipeline that will enable the research community to evaluate and interpret their data in greater depth and in less time. It will further advance our knowledge of how microbial communities influence and are influenced by the chemical makeup of the surrounding system. The source code and User’s guide of MetaboDirect are freely available through (https://github.com/Coayala/MetaboDirect) and (https://metabodirect.readthedocs.io/en/latest/), respectively.

54 ENVIRONMENTAL SCIENCES↗

Force-triggered, Bio-based, Sealants for Prefabricated Building Components: Towards Improved Efficiency, Performance and Sustainability

The prefabricated building construction industry has made extensive progress in expediting the manufacture of prefabricated components at offsite plants. However, this progress has not translated to the assembly of the prefabricated components at the construction site. Case in point, sealing the joints between components to prevent air leaks requires the manual application of tape, caulk, or spray foam at the jobsite, and performance is highly dependent on the skills of the installer. To reduce assembly time and improve assembly quality of prefabricated components, we developed a sealant that can be installed at the plant and triggered at the jobsite. Additionally, we used this opportunity to lower the use of fossil fuel derived feedstocks and introduced bio-based alternatives to decrease the embodied carbon of the new sealant. We evaluated a series of force-triggered, bio-based, high strength, and fast curing sealants, consisting of a one-part heterogeneous system. These sealants are derived from formulations with ≥80% of biogenic carbon, consisting of a cardanol derived diepoxy that is microencapsulated in a polymer shell and embedded in a cardanol derived amine curing agent. The microcapsule shell allows separation of the reactive species in the one part sealant allowing shelf stability to an otherwise fast curing system. When the microcapsules are broken and activated by force, the highly reactive species mix and cure, exhibiting peel strengths up to 143 ppi. The shelf stability of these sealants and the on-demand triggering of the curing reactions enable installation on prefabricated components and storage prior to delivery and assembly at a jobsite, which could result in consistent sealant application with lower installation time than tapes and caulks at the construction site.

Cortes Guzman, Karen [ORNL] (ORCID:000000028793468↗

Field Validation of Air-Source Heat Pumps for Cold Climates

Heating energy is the largest end-use for U.S. residential buildings accounting for approximately one-third of residential building energy consumption (EIA 2021). Historically, air-source heat pumps have been limited to temperate climates because of subpar performance at extremely cold outdoor air temperatures. However, recent advances to cold-climate air-source heat pump technology, which typically rely on inverter-driven, variable-speed compressors and variable-speed fans, have significantly improved low-temperature heat pump performance enabling the technology to save energy for many homes in cold climates. The primary objective of this project was to measure in-field performance of centrally ducted, variable-capacity air-source heat pumps in cold climates to validate performance and develop field-based performance maps. The project focused on quantifying heat pump performance at cold temperatures. The sites identified for the study were primarily located in the Northwest United States since homes in the region tend to have all-electric space heating systems and high-efficiency heat pumps have been incentivized in the region for several years. NREL partnered with Ecotope, Inc., a small energy consulting firm located in Seattle, WA, for site recruitment, monitoring equipment installation, data quality management. All the sites included in the study had previously installed a high-efficiency, central heat pump system. One site was in a Denver, CO suburb, which was the only dual fuel heat pump in the study. We used airside and power measurements, collected at 5-second intervals, to quantify heat pump capacity, coefficient of performance (COP), and auxiliary heater energy consumption. We developed algorithms to automatically determine the heat pump operating mode including defrost and auxiliary heating operation. A whole-house thermal and duct audit was completed during the initial site visit to estimate winter heating loads and assess heat pump sizing. Whole-home heating design loads were calculated at ASHRAE 99% design temperatures and compared to manufacturer-reported maximum capacities to assess the heat pump sizing at each site.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

High-Efficiency and Low-Carbon Energy Storage and Power Generation System for Electric Aviation

This report summarizes the work performed by University of California San Diego (UCSD) – Honeywell Aerospace (Honeywell) team for the U.S. Department of Energy/Advanced Research Projects Agency-Energy (DOE/ARPA-E) under Phase 1 (April 2021 – October 2023) project, Cooperative Agreement DE-AR0001347 entitled “High-Efficiency and Low-Carbon Energy Storage and Power Generation System for Electric Aviation”. The main objective of this project is to develop and demonstrate an energy storage and power generation (ESPG) system operating on bio liquid natural gas (LNG) for electric aviation applications. The ESPG system concept in this project is a fuel cell, battery, and gas turbine hybrid system that incorporates an innovative solid oxide fuel cell (SOFC) technology. This SOFC technology has two main novel elements: (i) a lightweight and compact stack architecture that consists of cells and cell modules in electrical parallel and series connections (the module design) and (ii) exceptionally high performance, direct methane thin-film cells on porous substrate made by sputtering deposition process. This fuel cell has the specific power and volumetric power density suitable for electric aviation applications. Based on the current status of the SOFC technology, the Phase 1 work focused on the following activities: (i) ESPG System Modeling – to design and optimize an aircraft SOFC-based ESPG system concept that met the performance, weight and cost targets; (ii) Cell Material Development and Scaleup – to demonstrate scalability of the sputtering process for manufacture of thin-film SOFC cells of practical sizes, confirm the exceptional performance of sputtered cells, improve cell stability and durability for operation with hydrogen and methane fuel, and develop a suitable electrically conducting porous substrate to replace the current non-conducting ceramic substrate; (iii) Stack Development – to design and manufacture stack components for the stack architecture, evaluate and select a suitable sealant, and build and operate multi-cell stacks to demonstrate stack operation, and (iv) Technology to Market – to develop business models and commercialization plans, conduct various market and technology analysis and estimate SOFC and ESPG system costs.

25 ENERGY STORAGE↗

Damage Detection and Electrical Performance Impact of Flat-Flexible Circuits

Flat-flexible circuits or ‘flex circuits’ have varied applications in electronics and in explosive detonation systems. They pose advantages over conventional coaxial cables in their ability to fit into small mechanical envelopes and routings. A typical flex circuit is composed of a laminated assembly of multiple layers of conductor and dielectric materials. Copper, because of its high electrical conductivity, is one of the primary materials used in flex circuit conductors. The conductor must maintain structural integrity and electrical continuity when the flexible circuit is bent during processing or to fit an application envelope. Under some strain conditions a cable may have degraded electrical performance even though visible damage may not be evident. Dislocation density can increase by mechanisms such as dislocation forest hardening, where gliding dislocations in primary slip planes get pinned at obstacles and form Frank-Read sources. Dislocation density increases within the conductor layers may impact electrical resistivity but would not necessarily result in visible mechanical failure. In some detonation applications, such as for building implosion for demolition, the time for signal transmission and voltage used for firing detonators can be critical. If the resistance in a single flex cable within a building demolition array is too high, the resultant demolition shape may be asymmetric, leading to unplanned damage to nearby structures and potential hazards to public safety. This study will apply non-destructive evaluation techniques to evaluate the detectability of damage accumulation in flat, flexible copper-conductor cables and discuss potential implications to their practical use.

42 ENGINEERING↗

Acoustic Properties of Aerogels: Current Status and Prospects

Noise reduction remains an important priority in the modern society, in particular, for urban areas and highly populated cities. Insulation of buildings and transport systems such as cars, trains, and airplanes has accelerated the need to develop advanced materials. Various porous materials, such as commercially available foams and granular and fibrous materials, are commonly used for sound mitigating applications. In this review, a special class of advanced porous materials, aerogels, is examined, and an overview of the current experimental and theoretical status of their acoustic properties is provided. Aerogels can be composed of inorganic matter, synthetic or natural polymers, as well as organic/inorganic composites and hybrids. Aerogels are highly porous nanostructured materials with a large number of meso‐ and small macropores; the mechanisms of sound absorption partly differ from those of traditional porous absorbers possessing large macropores. The understanding of the acoustic properties of aerogels is far from being complete, and experimental results remain scattered. It is demonstrated that the structure of the aerogel provides a complex three‐dimensional architecture ideally suited for promising high‐performance materials for acoustic mitigation systems. This is in addition to the numerous other desirable properties that include low density, low thermal conductivity, and low refractive index.

36 MATERIALS SCIENCE↗

An Energy Calculator for Simple Commercial Buildings

According to the EIA, simple commercial buildings account for 97% of total commercial building stock. However, most simple commercial buildings for example small- to mid-sized offices, retail, schools and warehouses do not benefit from the data-driven decision-making capabilities of whole-building energy modeling. The high cost of custom modeling limits the use of energy modeling of simple buildings for new construction or retrofit measures. Lack of tools providing helpful information on interactive savings estimates creates difficulties in meeting aggressive decarbonization and energy efficiency goals for simple building designers and utility program managers. This paper reviews a beta phase Simple Building Calculator with the ability to generate relatively accurate and interactive modeling results based on a limited but robust set of inputs. It can evaluate whole-building or single measure savings in new or existing buildings, compare measure package choices, or provide simplified performance modeling for energy codes and utility incentives. The tool combines physical (annual whole building prototype simulation) and statistical modeling techniques to predict annual energy performance. It supports a variety of building characteristics for envelope, HVAC, and lighting with parameters ranging from vintage to max tech configurations, as well as support for single-zone and simple multi-zone HVAC systems. The Simple Building Calculator was designed to provide immediate feedback for otherwise computationally intensive tasks like measure comparison, development of multiple measure package combinations, or verification that measures meet efficiency targets—all with the goal of providing a tool for quick annual energy simulation of simple commercial buildings.

Hart, Reid↗

Real-Time High-Accuracy Digital Wireless Time, Frequency, and Phase Calibration for Coherent Distributed Antenna Arrays

his work presents a fully-digital high-accuracy real-time calibration procedure for frequency and time alignment of open-loop wirelessly coordinated coherent distributed antenna array (CDA) modems, enabling radio frequency (RF) phase coherence of spatially separated commercial off-the-shelf (COTS) software-defined radios (SDRs) without cables or external references such as the global navigation satellite system (GNSS). Building on previous work using high-accuracy spectrally-sparse time of arrival (ToA) waveforms and a multistep ToA refinement process, a high-accuracy two-way time transfer (TWTT)-based time–frequency coordination approach is demonstrated. Due to the two-way nature of the high-accuracy TWTT approach, the time and frequency estimates are Doppler and multipath tolerant, so long as the channel is reciprocal over the synchronization epoch. This technique is experimentally verified using COTS SDRs in a lab environment in static and dynamic scenarios and with significant multipath scatterers. Time, frequency, and phase stability were evaluated by beamforming over coaxial cables to an oscilloscope which achieved time and phase precisions of ~60– 70 ps , with median coherent gains above 99% using optimized coordination parameters, and a beamforming frequency root-mean-square error (RMSE) of 3.73 ppb in a dynamic scenario. Finally, experiments were conducted to compare the performance of this technique with previous works using an analog continuous-wave two-tone (CWTT) frequency reference technique in both static and dynamic settings.

Clock synchronization↗