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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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At least 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

A multiphysics coupling framework for exascale simulation of fracture evolution in subsurface energy applications

Predicting the evolution of fractured media is challenging due to coupled thermal, hydrological, chemical and mechanical processes that occur over a broad range of spatial scales, from the microscopic pore scale to field scale. We present a software framework and scientific workflow that couples the pore scale flow and reactive transport simulator Chombo-Crunch with the field scale geomechanics solver in GEOS to simulate fracture evolution in subsurface fluid-rock systems. This new multiphysics coupling capability comprises several novel features. An HDF5 data schema for coupling fracture positions between the two codes is employed and leverages the coarse resolution of the GEOS mechanics solver which limits the size of data coupled, and is, thus, not taxed by data resulting from the high resolution pore scale Chombo-Crunch solver. The coupling framework requires tracking of both before and after coarse nodal positions in GEOS as well as the resolved embedded boundary in Chombo-Crunch. We accomplished this by developing an approach to geometry generation that tracks the fracture interface between the two different methodologies. The GEOS quadrilateral mesh is converted to triangles which are organized into bins and an accessible tree structure; the nodes are then mapped to the Chombo representation using a continuous signed distance function that determines locations inside, on and outside of the fracture boundary. The GEOS positions are retained in memory on the Chombo-Crunch side of the coupling. The time stepping cadence for coupled multiphysics processes of flow, transport, reactions and mechanics is stable and demonstrates temporal reach to experimental time scales. The approach is validated by demonstration of 9 days of simulated time of a core flood experiment with fracture aperture evolution due to invasion of carbonated brine in wellbore-cement and sandstone. We also demonstrate usage of exascale computing resources by simulating a high resolution version of the validation problem on OLCF Frontier.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

High Strength and Fracture Resistance of Reduced-Activity W-Ta-Ti-V-Zr High-Entropy Alloy for Fusion Energy Applications

Refractory high-entropy alloys (HEAs) are promising candidates for next-generation nuclear applications, particularly fusion reactors, due to their excellent high-temperature mechanical properties and irradiation resistance. Here, the microstructure and mechanical behavior were investigated for an equimolar WTaTiVZr HEA, designed from a palette of low-activation elements. The as-cast alloy exhibited a dendritic microstructure composed of W-Ta rich dendrites and Zr-Ti-V rich inter-dendritic regions, both possessing a body-centered cubic (BCC) crystal structure. Room temperature bulk compression tests showed ultra-high strength of around 1.6 GPa and plastic strain ~6%, with fracture surfaces showing cleavage facets. The alloy also demonstrated excellent high-temperature strength of ~650 MPa at 500 °C. Scratch-based fracture toughness was ~38 MPa√m for the as-cast WTaTiVZr HEA compared to ~25 MPa√m for commercially used pure tungsten. This higher value of fracture toughness indicates superior damage tolerance relative to commercially used pure tungsten. These results highlight the alloy’s potential as a low-activation structural material for high-temperature plasma-facing components (PFCs) in fusion reactors.

Physics↗
DOE OSTI2023

Construction and Commissioning of Gas Electron Multiplier (GEM) Detectors in Advanced Assembly Design for Low-Energy Applications at High Rates and Analysis of GEM Data From the Muse Experiment at PSI

The search beyond the Standard Model explores dark matter and a potential fifth force. DarkLight@ARIEL investigates the dark photon as a mediator between ordinary and dark matter. The experiment aims to measure the process e?Ta ? e?TaX ? e?Ta(e?e+), by detecting a charged lepton pair in the final state. The spectrometers will be instrumented with Gas Electron Multiplier (GEM) detectors with minimal material budget for tracking. A novel GEM construction technique is employed for fabricating 25 cm x 40 cm GEM detectors, where all layers are mechanically stretched and assembled within a double frame. The dissertation outlines physics motivation, methods, experimental setup, and the role of GEM detectors in DarkLight. A comprehensive discussion on GEM detectors, focusing on the "NS2" technique, including design, parts, assembly, testing, and performance evaluation will be discussed. The proton has garnered attention due to discrepancies in measuring its charge radius using muonic hydrogen and electron-based methods. The 2010 muonic hydrogen measurement of the proton charge radius Rp = 0.84184(67) fm, showed a significant 7? discrepancy compared to the previously known value of Rp = 0.8775(51) fm, giving rise to the proton radius puzzle. Through simultaneous measurements of e ? p and ? ? p elastic scattering, MUSE facilitates a precise and direct comparison of the proton radius. The physics background of the proton radius puzzle, measurement techniques, the approach adopted by the MUSE experiment, its significance and the experimental setup will be discussed. Furthermore, the role of GEM detectors, along with an in-depth analysis of their data and efficiency will be discussed and evaluated.

Mohammed Prem Nazeer, Sahara↗
DOE OSTI2024

Adaptive Computing and Multi-Fidelity Strategies for Control, Design and Scale-Up of Renewable Energy Applications

We describe our ongoing research in adaptive computing and multi-fidelity modeling strategies. Our goal is to use a combination of low- and high-fidelity simulation models to enable computationally efficient optimization and uncertainty quantification. We develop optimization formulations that take into account the compute resources currently available, which act as a constraint with regards to the fidelity level simulation we can run while maximizing information gain. These strategies are being implemented into a software framework with a generalized API allowing its application to a broad range of applications, from power grid stability and buildings control to material synthesis and biofuels processing. We will discuss a few examples from these applications that can benefit from this approach, especially when considering challenges arising in scaling up experiments and simulations.

adaptive computing↗
DOE OSTI2023

Ultrafast materials synthesis and manufacturing techniques for emerging energy and environmental applications

Energy and environmental issues have attracted increasing attention globally, where sustainability and low-carbon emissions are seriously considered and widely accepted by government officials. In response to this situation, the development of renewable energy and environmental technologies is urgently needed to complement the usage of traditional fossil fuels. While a big part of advancement in these technologies relies on materials innovations, new materials discovery is limited by sluggish conventional materials synthesis methods, greatly hindering the advancement of related technologies. To address this issue, this review introduces and comprehensively summarizes emerging ultrafast materials synthesis methods that could synthesize materials in times as short as nanoseconds, significantly improving research efficiency. We discuss the unique advantages of these methods, followed by how they benefit individual applications for renewable energy and the environment. We also highlight the scalability of ultrafast manufacturing towards their potential industrial utilization. Finally, we provide our perspectives on challenges and opportunities for the future development of ultrafast synthesis and manufacturing technologies. Here, we anticipate that fertile opportunities exist not only for energy and the environment but also for many other applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Overview of Quantum Sensing Materials and Techniques for Energy Sector Applications

The energy sector is dependent upon highly sensitive sensing devices for a wide range of applications. Variables such as temperature, pH, electromagnetic fields, and pressure must be measured with high precision, often in harsh conditions (e.g. high temperature, pressure and humidity). These sensors are deployed in infrastructure such as transformers, pipelines, mines, nuclear power plants, and other areas to ensure safe operating conditions and uninterrupted, optimized service. Moreover, new opportunities for sensors have emerged due to the expansion of smart grids/meters, driverless vehicles, and the discovery of new oil/gas deposits. The continued maturation of quantum sensors offers exciting opportunities for quantum-enhanced measurements to improve sensitivity beyond the classical limit. Here, an overview of established and emerging quantum materials and methods for sensing applications will be provided. Opportunities within the energy sector for quantum sensors will then be analyzed, including oil/gas discovery, greenhouse gas emission monitoring, pH and ion sensing, current measurements, and quantum-enhanced spectroscopy, along with barriers such as quantum sensor platform miniaturization and ruggedization. A specific project at the National Energy Technology Laboratory involving the functionalization of qubits using metal-organic frameworks for enhanced quantum sensing will then be highlighted. Here, nitrogen vacancy centers (NV) in nanodiamonds, a commercially available qubit with long coherence times and utilizable quantum properties at room temperature, are encapsulated using the metal-organic framework ZIF-8. Significantly, the ZIF-8 coating increases the longitudinal spin relaxation lifetime of the NV centers, an important parameter for spin relaxometry-based quantum sensing experiments. These results demonstrate the importance of qubit functionalization as a crucial step for rationally designing high performance quantum sensors.

Crawford, Scott↗
DOE OSTI2024

Overview of Quantum Sensing Materials and Techniques for Energy Sector Applications

The energy sector has become increasingly dependent upon highly sensitive sensing devices for a wide range of applications. Variables such as temperature, pH, electromagnetic fields, ions, and pressure must be measured with high precision, often in harsh conditions (e.g. highly corrosive environments due to high temperature, pressure and humidity). These sensors are deployed in infrastructure such as transformers, pipelines, mines, nuclear power plants, and other areas to ensure safe operating conditions and uninterrupted, optimized service. Moreover, new opportunities for sensors have emerged due to the expansion of smart grids/meters, driverless vehicles, and the discovery of new oil, gas, and critical mineral deposits. The continued maturation of quantum sensing technologies offers exciting opportunities for quantum-enhanced measurements within the energy sector that may provide significant improvements in sensitivity beyond the classical limit. Here, an overview of established and emerging quantum materials for sensing applications will be provided, from trapped ions to color centers in diamond and silicon carbide. Associated quantum sensing methods for these materials will be discussed, with an emphasis on platforms that are nearing commercial viability. Specific application opportunities within the energy sector for quantum sensors will then be analyzed, including oil/gas discovery, greenhouse gas emission monitoring, pH and ion sensing, current measurement in electric vehicle batteries, and quantum-enhanced spectroscopy. Remaining barriers, such as quantum sensor platform miniaturization and ruggedization, will also be analyzed. A specific project at the National Energy Technology Laboratory involving the functionalization of qubits using metal-organic frameworks for enhanced quantum sensing will also be highlighted. Here, nitrogen vacancy centers (NV) in nanodiamonds, a commercially available qubit with long coherence times and utilizable quantum properties at room temperature, are encapsulated in a controlled way using the metal-organic framework ZIF-8. The ZIF-8 provides a well-defined, porous scaffold that can be controlled to promote the selective uptake of specific target analytes, such as gas molecules or ions. The quantum sensing performance of this composite material is either preserved or enhanced following ZIF-8 encapsulation; the optically detected magnetic resonance response of the NV nanodiamonds with and without the ZIF-8 coating are identical, while the ZIF-8 coating increases the longitudinal spin relaxation lifetime (T1) of the NV centers, an important parameter for spin relaxometry-based quantum sensing experiments. Taken together, these results demonstrate the importance of qubit functionalization as a crucial step for rationally designing high performance quantum sensors.

Crawford, Scott↗
DOE OSTI2022

A Review on Geothermal Energy and HPHT Packers for Geothermal Applications

Energy is an essential component for prosperity, economic growth, and development and has become a basic necessity for humans, but at the same time, it has an impact on the environment. Therefore, it is believed that, in the coming future, renewable energy will play an important part in fulfilling the energy demand. In that respect, geothermal energy will be vital as it is a continuous source of energy that is not affected by metrological conditions and can be used in power generation or domestic heating. Many countries around the globe are actively producing energy from geothermal resources. However, the extraction of the heat from the subsurface comes with challenges such as subsurface environment, wellbore instability, corrosion, loss of circulation, and cementing operation. However, one of the most challenging and critical tasks is the zonal isolation of the geothermal well. A packer is a tool that is used for the zonal isolation of a well, and at high pressure and high temperature (HPHT) conditions, which is common for geothermal wells. Most of the components of packers fail, causing well integrity issues. This paper gives a review of the forces acting on packers, testing standards, problems encountered by a packer in the HPHT subsurface environment, and designs to overcome those problems.

15 GEOTHERMAL ENERGY↗
DOE OSTI2024

Modeling scale-up of particle coating by atomic layer deposition

Atomic layer deposition (ALD) is a promising technique to functionalize particle surfaces for energy applications including energy storage, catalysis, and decarbonization. In this work, we present a set of models of ALD particle coating to explore the transition from lab scale to manufacturing. Our models encompass the main particle coating manufacturing approaches including rotary bed, fluidized bed, and continuously vibrating reactors. These models provide key metrics, such as throughput and precursor utilization, required to evaluate the scalability of ALD manufacturing approaches and their feasibility in the context of energy applications. Our results show that designs that force the precursor to flow through fluidized particles transition faster to a transport-limited regime where throughput is maximized. They also exhibit higher precursor utilization. In the context of continuous processes, our models indicate that it is possible to achieve self-extinguishing processes with almost 100% precursor utilization. A comparison with past experimental results of ALD in fluidized bed reactors shows excellent qualitative and quantitative agreement.

25 ENERGY STORAGE↗
DOE OSTI2024

Nanoengineering of 2D MBenes for energy storage applications: A review

2D transition metal borides (MBenes), a flourishing member of the 2D nanomaterial family, show great potential in a number of study areas. MBenes have received increasing attention thanks to their excellent electrical conductivity, structural and mechanical properties, and chemical stability, which have captivated researchers and sparked further exploration. Extensive theoretical and experimental investigations have unveiled its remarkable potential as electrode materials for electrochemical storage applications, making MBenes a subject of great interest. Despite the growing interest and numerous studies conducted, there is a lack of a comprehensive and systematic appraisal of MBenes' applications in electrochemical energy storage systems. Here, in light of this, firstly, we provide an overview of the current progress in the fabrication and characterization of MAB phases and MBenes. For the synthesis of MBenes, the following fabrication techniques were discussed; liquid-phase exfoliation, solid-state mechanical exfoliation, chemical vapor deposition, high-pressure chemical vapor deposition, microwave-assisted chemical etching, and ultrasound-assisted chemical etching methods. Then, we delve into the captivating potential of MBenes, specifically in the realm of energy storage applications and their role in enhancing electrochemical storage capabilities. The discussion encompasses their application in lithium-ion, lithium-sulfur, and lithium-selenide batteries, supercapacitors and other energy storage systems, providing a comprehensive perspective on their contributions to the energy landscape. Finally, a brief but significant summary of the challenges and opportunities of MBenes in practical applications was summarized. The present review provides a guide and scientific motivation for creating and developing advanced MBene-based nanomaterials, addressing the growing demand for cutting-edge energy storage systems.

25 ENERGY STORAGE↗
DOE OSTI2024

Application Potential of a Dew-Point Cooling Tower in Selected Energy Intensive Applications in Temperate Climate

In the article, the application potential of the dew-point cooling tower (DPCT) in selected energy-intensive applications in temperate climates was analyzed and discussed. The applications selected for analysis are power generation with natural gas turbines and chilled water air conditioning systems. The study is based on a mathematical model derived from a modified ε-NTU model. The model was validated against experimental results and showed satisfactory agreement with the experimental data. DPCT was compared with a typical cooling tower limited by the wet-bulb temperature (wet-bulb cooling tower, WBCT). The simulation results showed that DPCT is able to provide significant energy savings in energy-intensive applications; therefore, its application potential in temperate climates can be considered justified. In the case of gas turbines, DPCT was able to generate 2 to 10 percentage points more capacity than operating on outdoor air and 1.8 to 5 percentage points more than operating with WBCT. In the case of air conditioning systems, the system equipped with DPCT achieved EERs (energy efficiency ratios) higher by 1 to 7.2 compared to dry cooling and by 0.3 to 5.1 compared to systems equipped with WBCT. The annual energy savings obtained by the system with DPCT were 14.7 MWh compared to WBCT and 30 MWh compared to dry cooling.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Identifying Molecular Scale Interactions of Nucleating Agents with Salt Hydrates for Thermal Energy Storage Applications

Latent heat based thermal energy storage is of interest as a method to mitigate and time-shift thermal load peaks and hence reduce energy demands for heating and cooling buildings. Notably, Glauber’s salt (GS) presents a good choice as a phase change material (PCM) for building applications because it has a melting point near room temperature (i.e., 32.4 °C), a large heat of fusion and energy density, and is low cost (~ $100/ton). However, there are several known limitations to using GS as a PCM, such as incongruent melting, high degree of supercooling, and formation of other hydration states, which renders GS unsuitable for practical use. Inorganic crystals acting as nucleating agents can avoid some of these issues with GS [1]. Understanding nucleation behavior through typical calorimetry experiments offers limited insight into the molecular-scale mechanisms. Here, we report isothermal titration calorimetry [2] to investigate the interactions between sodium sulfate salt and an organic nucleating agent - glycine. Our experiments provide qualitative and quantitative understanding of how glycine interacts with sodium sulfate across various temperatures. The findings offer insights into the nucleation onset temperature (24°C) and underscore the pivotal role of glycine's zwitterionic structure in facilitating nucleation. This preliminary work provides a foundation for subsequent exploration of nucleating agents that would be incorporated in different salt hydrate systems. 1. Purohit, B. K., and V. S. Sistla. "Inorganic salt hydrate for thermal energy storage application: A review." Energy Storage 3, no. 2 (2021): e212. 2. Velázquez-Campoy, Adrián, Hiroyasu Ohtaka, Azin Nezami, Salman Muzammil, and Ernesto Freire. "Isothermal titration calorimetry." Current protocols in cell biology 23, no. 1 (2004): 17-8.

calorimetry, nucleation & growth↗