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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 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Hidden symmetries, spin and charge of artificial magnetic monopoles

Here, we discuss the non-Abelian artificial magnetic monopoles associated with n-level energy crossing in quantum systems. We found that hidden symmetries reveal themselves as observables such as spin, hypercharge, and other physical degrees of freedom. We illustrated our results on concrete examples of two and three energy-level crossings. Our findings can be helpful for modeling various phenomena in physical systems such as SU(N) topological insulators and spintronic devices based on topological insulators.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

An innovative carbonated cementitious material and its printability and carbon mineralization capacity

The main goal of this research is to develop a carbonated cementitious material (CCMs) mix design and demonstrate its rapid stiffening for manufacturing 3D printed or precast elements for building construction (i.e., concrete with enhanced durability and CO 2 capture efficiency). The material development employs hydrated Ca(OH) 2 , and its distinct reaction with CO 2 to form CaCO 3 . Different formulations and additives including polymer materials enable the thermomechanical properties that give these CCMs 3D printability comparable with cement materials used for similar applications. Here, printable and castable CCM formulations were successfully developed and demonstrated to mineralize CO 2 to form up to 57% CaCO 3 .

36 MATERIALS SCIENCE↗
DOE OSTI2024

Efficacy of underground aggregate infiltration beds under a permeable pavement system

Urban areas often face significant flooding challenges due to impermeable surfaces that exacerbate stormwater runoff, making effective stormwater management essential. This study demonstrated that combining pervious concrete pavement systems with underground aggregate storage beds and rain gardens can significantly enhance water infiltration and drainage efficiency, providing valuable insights for designing low-impact development strategies in flood-prone regions.

Haselbach, Liv [Lamar Univ., Beaumont, TX (United ↗
DOE OSTI2024

Newton-Okounkov bodies of chemical reaction systems

Despite their noted potential in polynomial-system solving, there are few concrete examples of Newton-Okounkov bodies arising from applications. Accordingly, in this paper, we introduce a new application of Newton-Okounkov body theory to the study of chemical reaction networks and compute several examples. An important invariant of a chemical reaction network is its maximum number of positive steady states Here, we introduce a new upper bound on this number, namely the ‘Newton-Okounkov body bound’ of a chemical reaction network. Further, through explicit examples, we show that the Newton-Okounkov body bound of a network gives a good upper bound on its maximum number of positive steady states. We also compare this Newton-Okounkov body bound to a related upper bound, namely the mixed volume of a chemical reaction network, and find that it often achieves better bounds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Uniaxial stress increases layer stacking disorder in calcium silicate hydrates with low calcium content

The long-term stress response of concrete is controlled by the intergrain and intragrain interactions of calcium-silicate-hydrates (C-S-H), nanocrystalline forms of tobermorites. To investigate both types of interactions, we examined the deviatoric stress response of 11 Å tobermorite powder with X-ray diffraction, finding that its layer stacking (i.e., sliding) disorder significantly increases. A similar experiment was performed on nanocrystalline C-S-H powders before and after applying a 360 MPa uniaxial stress. Layer stacking disorder (in the form of intragrain deformation) increases when there is low water content and when the basal spacing is large. We also find that grains with a smaller thickness-to-diameter aspect ratio are first to develop preferred orientation (in the form of intergrain sliding), facilitated by gel water. Furthermore, these findings show that intragrain deformations in C-S-H can occur at relatively low stresses and provide insights into the creep mechanism of C-S-H.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Design-informed neutronics assessment of long-lived fission product transmutation in a tokamak fusion reactor blanket

This study presents a neutronics-based assessment of the feasibility and viability of transmuting six major long-lived fission products (LLFPs) from light-water reactors, namely 99 Tc, 129 I, 79 Se, 93 Zr, 126 Sn, and 135 Cs, within the blanket region of a tokamak fusion reactor, using the MIT ARC design as a concrete fusion configuration. Monte Carlo neutronics simulations were performed to evaluate LLFP transmutation and to compare the results with a reference boiling water reactor (BWR). The results indicate that transmutation of all six LLFPs is neutronics-feasible in fusion reactors, with transmutation half-lives significantly shorter than their natural decay half-lives. For elemental targets, transmutation of 135 Cs, 126 Sn, and 93 Zr was found potentially viable, as the net mass transmuted exceeded that achievable in the reference BWR under identical target volume and irradiation time. When isotopically separated targets were considered, transmutation of 126 Sn and 93 Zr appeared potentially viable. A parametric study demonstrated that plasma geometry modifications can enhance local neutron flux, increasing the transmuted 93 Zr mass by approximately 33% and reducing the transmutation half-life from approximately 240 years to 180 years. Repositioning the target and adjusting material layer thickness reduced the transmutation half-life of 93 Zr to 67 years and increased the net mass transmuted by a factor of 50. Furthermore, these results demonstrate that fusion reactors can enable LLFP transmutation beyond the practical limits of thermal fission reactors and highlight the critical role of reactor and blanket design optimization. Engineering and fuel-cycle considerations required for deployment are beyond the scope of this neutronics-focused study.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Dynamics of disordered mechanical systems with large connectivity, free probability theory, and quasi-Hermitian random matrices

Disordered mechanical systems with high connectivity represent a limit opposite to the more familiar case of disordered crystals. Individual ions in a crystal are subjected essentially to nearest-neighbor interactions. In contrast, the systems studied in this paper have all their degrees of freedom coupled to each other. Thus, the problem of linearized small oscillations of such systems involves two full positive-definite and non-commuting matrices, as opposed to the sparse matrices associated with disordered crystals. Consequently, the familiar methods for determining the averaged vibrational spectra of disordered crystals, introduced many years ago by Dyson and Schmidt, are inapplicable for highly connected disordered systems. In this paper we apply random matrix theory (RMT) to calculate the averaged vibrational spectra of such systems, in the limit of infinitely large system size. At the heart of our analysis lies a calculation of the average spectrum of the product of two positive definite random matrices by means of free probability theory techniques. We also show that this problem is intimately related with quasi-hermitian random matrix theory (QHRMT), which means that the ‘hamiltonian’ matrix is hermitian with respect to a non-trivial metric. This extends ordinary hermitian matrices, for which the metric is simply the unit matrix. The analytical results we obtain for the spectrum agree well with our numerical results. The latter also exhibit oscillations at the high-frequency band edge, which fit well the Airy kernel pattern. We also compute inverse participation ratios of the corresponding amplitude eigenvectors and demonstrate that they are all extended, in contrast with conventional disordered crystals. Finally, we compute the thermodynamic properties of the system from its spectrum of vibrations. In addition to matrix model analysis, we also study the vibrational spectra of various multi-segmented disordered pendula, as concrete realizations of highly connected mechanical systems. A universal feature of the density of vibration modes, common to both pendula and the matrix model, is that it tends to a non-zero constant at vanishing frequency.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Hidden Killing fields, geometric symmetries and black hole mergers

Highlights: • Construction of geometric models with a variable degree of symmetry. • Formulation of Energy and Momentum Balance Laws. • Description of backreactions on spacetime geometries caused by dissipative effects. • Analytic description of accretion and/or merger processes in GR. • Exact model for the merger of two extremal Reissner–Nordström black holes. In the present work, using the recently introduced framework of local geometric deformations, special types of vector fields – so-called hidden Killing vector fields – are constructed, which solve the Killing equation not globally, but only locally, i.e. in local subregions of spacetime. Taking advantage of the fact that the vector fields coincide locally with Killing fields and therefore allow the consideration of integral laws that convert into exact physical conservation laws on local scales, balance laws in dynamical systems without global Killing symmetries are derived that mimic as closely as possible the conservation laws for energy and angular momentum of highly symmetric models. The utility of said balance laws is demonstrated by a concrete geometric example, namely a toy model for the binary merger of two extremal Reissner–Nordström black holes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Performance assessment of active insulation systems in residential buildings for energy savings and peak demand reduction

Active insulation systems (AISs) in buildings are envelopes that integrate thermal insulation, thermal energy storage, and controls. Although different designs for AISs have been proposed in the literature, a comprehensive analysis of feasible AISs is lacking. This paper discusses the energy performance, peak demand reduction potential, and performance characteristics of an AIS that uses a concrete wall as thermal mass sandwiched between two solid-state thermal switches (STSs). These STSs change their thermal conductivity using an on/off metal switch to create or break a thermal bridge across the STS. This paper first describes the experimental setup, used to determine the ratio of thermal resistance during R-high (low thermal conductivity) and R-low (high thermal conductivity) states of the STSs. This ratio was then used in whole-building energy simulations to evaluate the performance of AIS walls across different climate zones with/without a freeze timer of 60 min. The timer was added to reduce the number of switches of STSs from one state to another, and hence the energy needed for these switches. Analysis of the switching frequency and interval of STSs, thermal conductivity of walls, impact of wall orientation, and heat transfer through the wall from the use of AIS at different climate zones/locations were performed. The simulation results show that the AIS can achieve energy savings ranging from ~980 to 2,290 kWh in a single-family home with a floor area of ~220 m 2 compared with an IECC 2018 baseline. We found the energy savings was higher in dry climate zones which represent 17% of residential buildings in the United States, compared to humid or marine climate.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Defect and satellite characteristics of additive manufacturing metal powders

Metal additive manufacturing (AM) requires high-quality metal powders to three-dimensionally (3D) print metallic components with complex and customizable geometries. The lack of quantification of AM metal powders creates quality control challenges for 3D printed components, increases the uncertainty of printing reliability and net cost of inspected and certified printed components, and reduces the recyclability of used powders. However, critical characteristics of AM metal powders that are decisive factors for the 3D printing process, such as internal porosity, contamination, and satellite feature, remain ambiguous. In this work, we developed a novel approach to 3D quantify key characteristics of AM metal powders down to individual particles by using high-resolution synchrotron x-ray computed tomography. Empowered by the penetrative capability of high-energy x-ray, internal porosity and contamination within as-atomized metal powders from high-entropy alloys to nickel-based superalloys were evaluated. Additionally, the newly-developed dispersion method enables the homogeneous separation of individual particles, and consequently, results in the implementation of 3D particle shape analysis. To resolve a major challenge of identification and quantification of satellite-feature particles in as-atomized AM metal powders, the satellite features were quantitated by modeling and analyzing the shape parameter of local thickness variance. Furthermore, the 3D analytical methods of particle assessment in this study can be applied to other materials systems like rock, food, and pharmaceutical particles, and provide insights for process optimization across powder metallurgy, concrete, food and pharmaceutical manufacturing, and AM industries.

36 MATERIALS SCIENCE↗
DOE OSTI2021

The Stellar decomposition: A compact representation for simplicial complexes and beyond

Here, we introduce the Stellar decomposition, a model for efficient topological data structures over a broad range of simplicial and cell complexes. A Stellar decomposition of a complex is a collection of regions indexing the complex’s vertices and cells such that each region has sufficient information to locally reconstruct the star of its vertices, i.e., the cells incident in the region’s vertices. Stellar decompositions are general in that they can compactly represent and efficiently traverse arbitrary complexes with a manifold or non-manifold domain. They are scalable to complexes in high dimension and of large size, and they enable users to easily construct tailored application-dependent data structures using a fraction of the memory required by a corresponding global topological data structure on the complex. As a concrete realization of this model for spatially embedded complexes, we introduce the Stellar tree, which combines a nested spatial tree with a simple tuning parameter to control the number of vertices in a region. Stellar trees exploit the complex’s spatial locality by reordering vertex and cell indices according to the spatial decomposition and by compressing sequential ranges of indices. Stellar trees are competitive with state-of-the-art topological data structures for manifold simplicial complexes and offer significant improvements for cell complexes and non-manifold simplicial complexes. We conclude with a high-level description of several mesh processing and analysis applications that utilize Stellar trees to process large datasets.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Converting plastic waste pyrolysis ash into flash graphene

Pyrolysis of plastic waste (PW), a commercial method of recycling, is currently economically challenging and produces up to 20% by mass valueless pyrolysis ash (PA) as a byproduct. Here, direct, facile upcycling of PW-derived PA into high purity turbostratic flash graphene (tFG) is demonstrated. The tFG displays excellent dispersibility, yielding a concentration of 2.84 mg/mL in aqueous surfactant solution. The tFG was used to fabricate tFG-PVA nanocomposites, and low doses of tFG (0.1%–1%) improve failure strain by 15%–30% when compared to the samples of neat PVA. Furthermore, the addition of tFG to PVA films showed decreased hydrophilic interactions, increasing the water contact angle by 235% and adsorbing 500% less water than neat PVA. The tFG was also added to Portland cement paste as well as concrete, and exhibited 43% and 25% increases in compressive strength, respectively. The tFG is used directly in both composite applications, requiring no purification or chemical functionalization, unlike many other products used in nanocomposites.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Carbonation dynamics of hydrated alite revealed by electron microscopy

CO 2 sequestration in concrete is crucial to relieve the environmental burden, while the carbonation mechanisms remain unclear. Here, we explored the carbonation dynamics of alite hydrates through electron microscopy. We discovered that calcite is the main phase of carbonate crystals throughout the entire carbonation period in the alite system. Further, the shape evolution of calcite crystals was captured: spindle carbonates initially formed on C-S-H substrate and then transformed into rhombohedrons; Intermediate states such as polyhedral particles and layered rhomboids were also observed. Based on our quantitative calculations, the growth rate of calcite particles was determined approximately 0.2 μm/day, which may be affected by the relative concentration between calcium ions and CO 2 source. A direct relation between the microstructure and mechanical properties of calcite was uncovered using atomic force microscopy. Furthermore, we found that the morphology development of calcite crystals during carbonation may be explained by the surface energy variation of different facets. This work suggests a unique approach to track carbonation kinetics and provides new opportunities to unveil underlying carbonation mechanisms at the nanoscale.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Production of α' H -belite-CSA cement at low firing temperatures

A global increase in population creates a need for infrastructure development to stimulate economic growth and improve quality of life. Concrete plays a significant role in this development due to its availability and mechanical strength. Ordinary Portland cement (OPC) has been the most utilized binder in the construction industry since its formulation. However, OPC production has an enormous energy demand and generates large quantities of CO 2 . This research investigates the production of a clinker, containing mainly the hydraulically activated alpha'H-belite polymorph and calcium sulfoaluminate (ye'elimite or C4A3$\acute{S}$), at a lower firing temperature, using a combination of fluoride and boron oxide. This novel clinker addresses the problem of creating high strength cements at extremely low firing temperatures of 1000–1050 °C (a decrease of 450–500 °C as compared to OPC, and a decrease of 200–250 °C as compared to calcium sulfoaluminate (CSA) cement). This clinker reduces CO 2 emissions from energy consumption and by producing phases with lower limestone requirements. The combination of lower firing temperatures and clinker phases that require lower limestone requirements provide a means to reduce CO 2 emissions.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Effect of chloride ingress on self-healing recovery of smart cementitious composite incorporating crystalline admixture and MgO expansive agent

Highlights: • Crack closure under wet/dry cycles in chloride solution is higher than the one in distilled water. • Element analysis shows that calcium is vital for crack healing either in water or chloride solution. • AFm is consumed by chloride ion to form Fs, and Fs were decomposed to AH{sub 3} by carbonation. • Soluble reactive silica reacts with calcium hydrate to form C-S-H gel to heal concrete cracks. • Expansion of magnesium hydroxide facilitates crack self-healing by interconnected network. In this study, the effect of chloride environment containing various concentrations of chloride ion (Cl{sup −}) on self-healing performance of pre-cracked cementitious composite containing crystalline admixture (CA) and MgO expansive agent (MEA) was investigated under wet-dry cycles in chloride solutions. The results revealed that the Cl{sup −} changed the mineralogy of self-healing products, and consequently, affected the crack closure ratio and mechanical strength recovery. When self-healing occurred in distilled water, a large amount of ettringite (AFt) were detected, whereas in Cl{sup −} solution, monosulfate (AFm) was consumed by Cl{sup −} to form Friedel's salt (Fs), and then the Fs was decomposed to Al(OH){sub 3}(AH{sub 3}) due to carbonation. During the multiphase conversion process, hydroxide (OH{sup −}) was released into crack solution, therefore the dissolved carbon dioxide (CO{sub 2}) concentration was increased. The carbonation of the crystals formed in cracks was accelerated with the volume expansion, which achieved rapid crack sealing but contributed little to the mechanical performance recovery.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Cs retention and diffusion in C-S-H at different Ca/Si ratio

Cement and concrete are commonly used in the construction of repository sites for radioactive wastes. The correct isolation of those contaminants requires good adsorption and low diffusion rates. Both parameters are highly affected by many factors, such as pH, temperature or composition. The large variability of experimental conditions and formulations makes it extraordinarily difficult to tackle the influence of each of them independently in experimental samples. To this effect, molecular dynamics simulations have been employed in this study to investigate the role of the composition in the capacity to retain Cs and diffusivity of these ions in calcium silicate hydrate (C-S-H) gel pores. The results indicate that the adsorption of Cs ions is worsened at high Ca/Si ratios due to a lower interaction of the cations with the C-S-H surface, while hydrophilicity of the C-S-H nanopore rises, resulting in higher long-range ordering and lower diffusion coefficients of Cs ions.

36 MATERIALS SCIENCE↗