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DOE OSTI2024

Demonstration of the carbon capture with building make-up air unit

Building-integrated carbon capture technology has the potential to reduce the cost of CO 2 capture while improving indoor air quality (IAQ). To promote the adoption of CO 2 capture in a building environment, this study investigated the possibility of integrating carbon capture technology with an existing rooftop make-up air unit (MAU) system to trap CO 2 . Here, in this study, a modular compact CO 2 capture system containing amine-functionalized polymer fibers was examined. The system, which was installed at the exhaust of the MAU, captures CO 2 before it leaves the building to enter the atmosphere as a greenhouse gas. The demonstrated average amount of CO 2 captured was 1.1–1.4 mmol/g of adsorbent material. Techno-economic analysis (TEA) was further performed on the CO 2 capture system, considering material costs, energy costs, as well as transportation and regeneration costs. These results were then used to estimate the levelized cost per ton CO 2 captured (LCOC). To achieve LCOC below $\$$100/t-CO 2 , adsorbents should have working capacities of 4.9 t and 3 t-CO 2 /year for 5 years and 10 years of operation, respectively. In summary, this study highlights a viable path toward the decarbonization of the commercial buildings sector and provides quantitative performance and economic insight on the suitability of building-integrated carbon capture technology.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2026

Tabletop Testing for EV Charging Ecosystem PKI (Project T34PKI Final Report)

To test the communications and cybersecurity functionality, Electric Vehicle and charging station vendors have had to ship their products to in-person testing events. This is cumbersome, expensive, inefficient, and an impediment to rapid time-to-deployment. In this project Sandia used COTS hardware and Open-Source Software to develop and demonstrate a more agile, productive approach: testing low-voltage controllers independently from high-voltage power delivery sub-systems. This approach allows communications controllers to be transported easily (e.g. shipped at low cost, checked as airline baggage); set up on a table-top (“bench testing”); and use ordinary 120 VAC outlets to conduct agile testing. Table-top platforms become end nodes that can connect to laboratory and cloud-based servers to test communications and cybersecurity, specifically Public Key Infrastructure (PKI) functionality and interoperability, separately from EV battery charging (power/energy transfer) functionality.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2023

High Performing Inverted Flexible Perovskite Solar Cells via Solution Phase Deposition of Yttrium-Doped SnO 2 Directly on Perovskite

Solution processing of flexible perovskite solar cells (f-PSCs) provides an avenue for scalable, high-throughput printing of lightweight, scalable, and cost-effective flexible solar cells. However, the deposition of fully solution-processed metal oxide charge transport layers on perovskites has been limited by solvent incompatibilities and high processing temperatures for metal oxide nanoparticles. In this study, we present high-performance, inverted f-PSCs from the direct deposition of yttrium doped SnO 2 nanoparticles functionalized with acetate on top of perovskite as an ink in anhydrous ethanol via blade coating. Yttrium doping improved device performance by improving the charge extraction leading with a decreased series resistance leading to improvements in the open-circuit voltage and fill factor. Furthermore, the champion power conversion efficiency for 0.1 cm 2 devices increased from 14.3% for undoped SnO 2 to 18.2% with 2% Y:SnO 2 doping, which is unprecedented for f-PSCs on ITO-PET substrate employing SnO 2 as an ETL.

14 SOLAR ENERGY↗

DOE OSTI2023

Open Building Operating System: An Open-Source Grid Responsive Control Platform for Buildings

Grid-interactive efficient buildings (GEBs) with flexible loads are a promising method to decarbonize buildings, shift loads during peak hours, and lower energy use and electricity costs. Despite the promising benefits of GEBs, automation systems that manage flexible loads in response to energy prices or other grid signals are still uncommon in small and medium commercial buildings. Recent literature demonstrates such control solutions, but they often rely on custom integrations lacking the tools and drivers needed for scalability. To address these gaps, our team has created a fully open-source software stack capable of integrating heterogeneous flexible building loads and implementing integrated portable control applications called the Open Building Operating System (OpenBOS). The software can be deployed over existing control architecture with a small capital cost. OpenBOS leverages semantic models, which have been the subject of recent investigations to facilitate application portability. The use of semantic data reduces the labor and expense required to deploy and update smart control applications, increasing scalability. In this paper, the semantic modeling schema "Brick" was used, but the proposed approach can also be applied to ASHRAE standard 223P, when released. This paper describes the methodology and software components of OpenBOS and demonstrates its functionality with a rule-based demand flexibility control application configured using a semantic model. This application was tested at a real building in NY that uses a dual-fuel heating system made up of five ductless heat pump mini-splits and a central furnace serving a single zone. The demonstration reduced electricity costs at the site by 27%, demand during a shed event by 49%, and furnace usage by 35%.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2023

Recent development and manufacturing of coal-derived building materials

Coal has been challenged because coal combustion generates large quantities of carbon dioxide (CO2), which contributes to global warming. Pyrolysis char (PC), a valuable byproduct of coal that does not liberate CO2 when produced in an inert environment, can be used as a high carbon content fuel in combustion and gasification. However, using PC as a fuel is not an eco-friendly and cost-efficient way to make energy. Contrastingly using PC to make engineered products does offer an eco-friendly, attractive and value-added use. This paper introduces a novel integrated coal pyrolysis and solvent extraction process invented by the University of Wyoming (UW) to convert as-mined coal from the Powder River Basin Coal Field, Wyoming, to functional carbon products, which together liberates very little CO2. PC and coal deposit, extract and residual (CDER) are two functional carbon products that can be used in the development and manufacture of high value coal-derived building materials. The novel development of three building products known as coal-derived char bricks (CCB), carbon structural unit (CSU), and char-based insulation foam (CIF) are introduced. The approaches to manufacture them are investigated, including consideration of the eco-friendly approaches, optimization of engineering performance, and cost effectiveness relative to traditional products. CCBs show advantages in terms of their light weight (< 1 g/cm3) and good compressive strength (> 14 MPa). CSUs possess high compressive strength (> 30 MPa) and low thermal conductivity (< 0.3 W/mK), while CIFs can achieve a low thermal conductivity of 0.06 W/mK. Two demonstration houses have been built on UW campus, one using CCBs and another using commercial clay bricks. The performances of these houses are being monitored for temperature control, humidity uptake, noise reduction, inside air volatile organic content, indoor air quality and weatherability. The performance of the CCBs in terms of these criteria is discussed.

Ng, Kam↗

DOE OSTI2026

Development of combined function dipole-quadrupole PMQs magnets for NSLS-II upgrade

This paper focuses on the R&D performed for the development of permanent magnets-based dipoles-quadrupoles combined function magnets (PMQs) for the future NSLSII upgrade “complex bend” lattice (CB). This new lattice uses PMQs that provide both bending (dipole) and strong focusing (quadrupole) magnetic field on the electron beam. The permanent magnet (PM) technology is suitable for the high magnetic field strengths (0.5 T, 130 T/m) required for such combine function magnets. PM technology leads to a compact magnet design that is essential in realizing the complex bend lattice concept, as well as a passive magnet solution which does not require electrical power supply reducing power consumption by ~ 80% (from 1.7 MW to 0.3 MW for NSLS-II). Two PMQs magnets designs are under consideration: A hybrid design that use both PM and soft iron poles, and Halbach type that is a pure PM design. Both PMQs designs present challenges in achieving the specified magnetic field quality due to their higher sensitivity to errors (mechanical tolerances and PM properties). This paper presents cost-effective designs and prototypes results for hybrid and Halbach PMQs, addressing various technical challenges while meeting the field requirements of the complex bend lattice for the NSLS-II upgrade.

N'gotta, Patrick [Brookhaven]↗

DOE OSTI2022

Development of a Cloud-based Application to Enable a Scalable Risk-informed Predictive Maintenance Strategy at Nuclear Power Plants

Light-water reactor operations and maintenance (O&M) costs are prohibitively high, thus contributing to the premature decommissioning of nuclear power plants (NPPs). This is partly due to how the equipment is monitored. In recent years, cloud computing has emerged as a dominant technology by virtue of its low costs, computing and storage adaptability, and ability to host applications over numerous types of virtual infrastructures. Cloud computing can be a cost-effective alternative to onsite storage and diagnostics. This paper conducts a techno-economic assessment of a provisional cloud deployment architecture for a NPP predictive monitoring (PdM) system. The cloud-based monitoring system would enable maintenance and diagnostics (M&D) analysts and other authorized plant users to remotely monitor equipment functionality so as to enable PdM practices and early detection of faults. The Microsoft Azure cloud platform is included in the proposed cloud architecture to provide data processing and storage, sensor device networking, and database management; however, this analysis could be extended to other cloud computing service providers as well. For the techno-economic assessment, technical feasibility is measured in terms of network performance metrics such as response time, latency, and throughput, whereas economic feasibility is measured in terms of operational costs and capital expenditures. Finally, this report covers certain regulatory and security aspects that may concern licensees looking to implement cloud computing. The report focuses on the integration of sensor database storage, the application of cloud resources to PdM, and the identification of technological and economic hurdles associated with moving to a cloud-computing-based architecture.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2020

Multi-Functional Distributed Fiber Sensors for Pipeline Monitoring and Methane Detections. Final Report

As an abundant and cheap fossil energy source, natural gas has become a significant energy supply to support the United States’ economy. However, the large-scale extraction and utilization of natural gas also impose significant challenges on methane leakage. This problem is exacerbated by aging gas utility delivery systems, including interstate high-pressure pipelines, storage, and transmission facilities. This project aims to develop a cost-effective fiber optical sensing method that can perform multi-parameter real-time measurements of natural gas pipelines across long interrogation distances up to 100 km with 1-meter spatial resolution. This sensing tool can evaluate overall pipeline efficiency and reduce methane emissions for mid-stream methane infrastructures. To accomplish this objective, research and development efforts funded by this project have resulted in the following accomplishments: This project successfully has developed new functional sensory polymer materials using Metal-Organic Frameworks (MOFs) that can be coated on optical fiber through the reel-to-reel coating process. Functional polymer-coated optical fibers can perform sensitive methane detection through evanescence wave interaction and strain-based measurements to achieve 1% detection sensitivities. The new sensors fibers support both distributed measurements and multiplexed fiber sensors array for multi-point measurements. This project developed and optimized a new multi-core optical fiber that supports simultaneous and distributed measurements of strain and temperatures with 1-meter spatial resolutions across up to 100-km interrogation distance. This new fiber, combined with sensory polymercoated fiber, could perform both distributed temperature and methane detections. This project developed a new artificial intelligence big data algorithm approach that can effectively analyze high-resolution data harnessed by distributed fiber sensors to protect natural gas pipelines against external threats and detect internal defects induced by corrosion. Working with our industry partner, this project developed new optical fibers that support fiber sensor fabrications through polymer coating after the fibers are drawn. These new fibers eliminate the need for direct sensor fabrication when the fiber is fabricated on a fiber draw tower, which drastically expands fiber sensors' applicability. This research project has significantly advanced the distributed fiber sensing technology. It will dramatically increase the applicability and adaptability of distributed fiber sensors for a wide array of applications in energy, sustainability, and environmental science, including structural health monitoring of natural gas pipelines, oil infrastructures, hydrogen facilities, and environmental monitoring of carbon storage sites, water supply systems, and others.

03 NATURAL GAS↗

DOE OSTI2022

CAMERA: A method for cost-aware, adaptive, multifidelity, efficient reliability analysis

Estimating probability of failure in aerospace systems is a critical requirement for flight certification and qualification. Failure probability estimation involves resolving tails of probability distributions, and Monte Carlo sampling methods are intractable when expensive high-fidelity simulations have to be queried. Here, we propose a method to use models of multiple fidelities that trade accuracy for computational efficiency. Specifically, we propose the use of multifidelity Gaussian process models to efficiently fuse models at multiple fidelity, thereby offering a cheap surrogate model that emulates the original model at all fidelities. Furthermore, we propose a novel sequential acquisition function based experiment design framework that can automatically select samples from appropriate fidelity models to make predictions about quantities of interest at the highest fidelity. We use our proposed approach in an importance sampling setting and demonstrate our method on the failure level set and probability estimation on synthetic test functions and two real-world applications, namely, the reliability analysis of a gas turbine engine blade using a finite element method and a transonic aerodynamic wing test case using Reynolds-averaged Navier-Stokes equations. We show that our method predicts the failure boundary and probability more accurately and at a fraction of the computational cost compared with using just a single expensive high-fidelity model. Finally, we show that our sequential approach is guaranteed to asymptotically converge to the true failure boundary with high probability.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

A deep learning interatomic potential developed for atomistic simulation of carbon materials

Interatomic potentials based on neural-network machine learning method have attracted considerable attention in recent years owing to their outstanding ability to balance the accuracy and efficiency in atomistic simulations. In this work, a neural-network potential (NNP) for carbon is generated to simulate the structural properties of various carbon structures. The potential is trained using a database consisting of crystalline and liquid structures obtained by the first-principles density functional theory (DFT) calculations. The developed potential accurately predicts the energies and forces in crystalline and liquid carbon structures, the energetic stability of defected graphene, and the structures of amorphous carbon as the function of density. As a result, the excellent accuracy and transferability of the NNP provide a promising tool for accurate atomistic simulations of various carbon materials with faster speed and much lower cost.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Atmospheric Feedbacks Reverse the Sensitivity of Modeled Photosynthesis to Stomatal Function

Stomata mediate fluxes of carbon and water between terrestrial plants and the atmosphere. These fluxes are governed by stomatal function and can be modulated in many Earth system models by an empirical parameter within the calculation of stomatal conductance, the stomatal slope (𝑔 1⁢𝑀 ). Intuitively, 𝑔 1⁢𝑀 represents the marginal water cost of carbon, relating it to the emergent plant property of water use efficiency. Observations show that 𝑔 1⁢𝑀 can range widely across and within plant types in varying environments, and this distribution of 𝑔 1⁢𝑀 is not captured within Earth system models which represent each plant type with a single 𝑔 1⁢𝑀 value. Here we examine how 𝑔 1⁢𝑀 influences photosynthesis using coupled Earth system model simulations by perturbing 𝑔 1⁢𝑀 to observed 5⁢t⁢h and 95⁢t⁢h percentiles for each plant type. We find that high 𝑔 1⁢𝑀 reduces photosynthesis nearly everywhere, while low 𝑔 1⁢𝑀 has regionally dependent responses. Under fixed atmospheric conditions, low 𝑔 1⁢𝑀 increases photosynthesis in the Amazon and central North America but decreases photosynthesis in boreal Canada. These responses reverse when the atmosphere responds interactively due to spatially differing sensitivity to increases in temperature and vapor pressure deficit. Choice of 𝑔 1⁢𝑀 also influences photosynthetic response to changes in atmospheric carbon dioxide (CO 2 ), with lower and higher 𝑔1⁢𝑀 modifying total global response to elevated 2x preindustrial CO 2 by +6.4% and −9.6%, respectively. Our work demonstrates that atmospheric feedbacks are critical for determining the photosynthetic response to 𝑔 1⁢𝑀 assumptions and some regions are particularly sensitive to choice of 𝑔 1⁢𝑀 .

Liu, Amy X. [University of Washington, Seattle, WA↗

DOE OSTI2026

Shadow molecular dynamics for flexible multipole models

Shadow molecular dynamics provide an efficient and stable atomistic simulation framework for flexible charge models with long-range electrostatic interactions. Shadow molecular dynamics simulations are driven by approximate “shadow” Born–Oppenheimer potentials for which the exact charges and forces are directly accessible without relying on costly (and approximate) iterative solvers. While previous implementations have been limited to atomic monopole charge distributions, we extend this approach to flexible multipole models. We derive detailed expressions for the shadow energy functions, potentials, and force terms, explicitly incorporating monopole–monopole, dipole–monopole, and dipole–dipole interactions. In our formulation, both atomic monopoles and atomic dipoles are treated as extended dynamical variables alongside the propagation of the nuclear degrees of freedom. We demonstrate that introducing the additional dipole degrees of freedom preserves the stability and accuracy previously seen in monopole-only shadow molecular dynamics simulations. In addition, we present a shadow molecular dynamics scheme where the monopole charges are held fixed while the dipoles remain flexible. Our extended shadow dynamics provide a framework for stable, computationally efficient, and versatile molecular dynamics simulations involving long-range interactions between flexible multipoles. This is of particular current interest in combination with machine-learned interatomic potentials, including long-range electrostatic interactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

A Decentralized Market Mechanism for Energy Communities under Operating Envelopes

Here, we propose an operating envelopes (OEs) aware energy community market mechanism that dynamically charges/rewards its members based on two-part pricing. The OEs are imposed exogenously by a regulated distribution system operator (DSO) on the energy community's revenue meter and is subject to a generalized net energy metering (NEM) tariff design. By formulating the interaction of the community operator and its members as a Stackelberg game, we show that the proposed two-part pricing achieves a Nash equilibrium and maximizes the community's social welfare in a decentralized fashion while ensuring that the community's operation abides by the OEs. The market mechanism conforms with the cost-causation principle and guarantees community members a surplus level no less than their maximum surplus when they autonomously face the DSO. The dynamic and uniform community price is a monotonically decreasing function of the community's aggregate renewable generation. We also analyze the impact of exogenous parameters such as NEM rates and OEs on the value of joining the community. Lastly, through numerical studies, we showcase the community's welfare, and pricing, and compare its members' surplus to customers under the DSO's regime.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2024

ARCADE (Advanced Reactor Cyber Analysis and Development Environment)

SAND2025-11780O ARCADE (Advanced Reactor Cyber Analysis and Development Environment) software performs cybersecurity experiments on Defensive Cyber Security Architectures (DCSA) for Distributed Control Systems (DCSs). The application is integrated into a cohesive environment that performs cyber risk analyses and reduces costs. ARCADE can investigate the entire cyber-attack surface of a DCS from the physics of control, down to the firmware of individual components with automated efficiency. ARCADE has five major functional components: the Data Broker system, the virtualization environment, the cyber-attack simulator, the cyber-physical analysis system, and the physics simulator. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Valme, Romuald↗

DOE OSTI2020

Compact, Achromatic Non-scaling FFAG Accelerator for HEP, Commercial and Medical Applications (CRADA FRA-2008-0005 Final Report)

Proton and light-ion accelerators have many research and medical applications, but the current state of technology in accelerators severely limits their widespread use: (1) synchrotrons have an intrinsic low duty cycle and become quite large for light ions; and (2) cyclotrons do not have energy variability and require complex superconducting magnets for high energy. A new concept in non-scaling Fixed-Field Alternating-Gradient (FFAGs) has been invented that incorporates both the energy variability of the synchrotron and the high duty cycle of the cyclotron. The concept uses normal-conducting, combined-function magnets that apply only constant (dipole) and linear-gradient (quadrupole) fields to stabilize the accelerator. This project will develop an optimized design for a new non-scaling and cost-effective innovation in FFAG accelerators. The accelerator design will have optics that can stably accelerate protons to 250 MeV (or higher) and carbon ions to =200 MeV, an energy considered ideal for radiation therapy. Phase I will optimize, fully simulate, and demonstrate the feasibility of this accelerator. Commercial Applications and other Benefits as described by the awardee: The fixed-field acceleration concept should eliminate some of the most pronounced technical difficulties, expense, maintenance, and required expertise faced in conventional proton and light-ion accelerators. In addition to the application for high energy physics, these accelerators should have application in cancer treatment, radiopharmaceuticals, and medical isotope production, and materials science.

43 PARTICLE ACCELERATORS↗

DOE OSTI2022

Finding values in lignin: A promising yet under-utilized component of the lignocellulosic biomass

This article outlines the technical and economic potentials of lignin in unlocking sustainable biorefineries. The benefits of using this highly functionalized biopolymer for the growth of sustainable economy have been highlighted. But practically, the possibility of commercially substituting petroleum oil with lignin is still not very high as the estimated biofuel production cost is 2–3 times higher than the former one. However, with the advancement in technology and more efficient measures by biorefineries such as storing and processing the biomass near the field so as to reduce the transportation cost, it is possible to gain higher profits. Companies like Domtar, Stora Enso, Borregaard’s LignoTech, VITO, and Chemelot InSciTe have been promoting commercial value of lignin. The growth of lignin market after the start-up production at various sites has been discussed in this review. Combining the complete “start-to-finish” analysis with economic evaluation gives a pragmatic overview of the possibilities whether lignin will join petroleum oil as an efficient and cost-effective renewable source.

Jassal, Vidhisha↗

DOE OSTI2024

The Role of Lignin Molecular Weight on Activated Carbon Pore Structure

Over the past decade, the production of biofuels from lignocellulosic biomass has steadily increased to offset the use of fuels from petroleum. To make biofuels cost-competitive, however, it is necessary to add value to the “ligno-” components (up to 30% by mass) of the biomass. The properties of lignin, in terms of molecular weight (MW), chemical functionality, and mineral impurities often vary from biomass source and biorefinery process, resulting in a challenging precursor for product development. Activated carbon (AC) is a feasible target for the lignin-rich byproduct streams because it can be made from nearly any biomass, and it has a market capacity large enough to use much of the lignin generated from the biorefineries. However, it is not known how the variability in the lignin affects the key properties of AC, because, until now, they could not be well controlled. In this work, various fractions of ultraclean (<0.6% ash) lignin are created with refined MW distributions using Aqueous Lignin Purification using Hot Agents (ALPHA) and used as precursors for AC. AC is synthesized via zinc chloride activation and characterized for pore structure and adsorption capacity. We show that AC surface area and the adsorption capacity increase when using lignin with increasing MW, and, furthermore, that reducing the mineral content of lignin can significantly enhance the AC properties. The surface area of the AC from the highest MW lignin can reach ~1830 m2/g (absorption capacity). Furthermore, single step activation carbonization using zinc chloride allows for minimal carbon burn off (<30%), capturing most of the lignin carbon compared to traditional burn off methods in biorefineries for heat generation.

Biochemistry & Molecular Biology↗

DOE OSTI2020

Conceptual Design Report -- eSPS

The design of a primary electron beam facility at CERN is described. It re-enables the SPS as an electron accelerator, and leverages the development invested in CLIC technology for its injector and as accelerator R&D infrastructure. The facility would be relevant for several of the key priorities in the 2020 update of the European Strategy for Particle Physics, such as an electron-positron(e-p) Higgs factory, accelerator R&D, dark sector physics, and neutrino physics. In addition, it could serve experiments in nuclear physics. The electron beam delivered by this facility would provide access to light dark matter production significantly beyond the targets predicted by a thermal dark matter origin, and for natures of dark matter particles that are not accessible by direct detection experiments. It would also enable electro-nuclear measurements crucial for precise modelling the energy dependence of neutrino-nucleus interactions, which is needed to precisely measure neutrino oscillations as a function of energy. The implementation of the facility is the natural next step in the development of X-band high-gradient acceleration technology, a key technology for compact and cost-effective electron/positron linacs. It would also become the only facility with multi-GeV drive bunches and truly independent electron witness bunches for plasma wakefield acceleration. The facility would be used for the development and studies of a large number of components and phenomena for a future e-p Higgs and electroweak factory as the first stage of a next circular collider at CERN, and its cavities in the SPS would be the same type as foreseen for such a future collider. The operation of the SPS with electrons would train a new generation of scientists. The facility could be made operational in about five years and would operate in parallel and without interference with Run 4 at the LHC.

43 PARTICLE ACCELERATORS↗