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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 1,351 records · Page 75
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

A Modeling framework for flocculated cohesive sediment transport in the current bottom boundary layer

Cohesive sediment transport, where its settling velocity is controlled by the flocculation process, is a crucial component in determining biochemical cycles, fate of pollutants, and morphodynamics in many aquatic ecosystems. In this study, a modeling framework is presented to investigate how flocculation influences cohesive sediment transport in the current bottom boundary layer in dilute conditions, consistent with the calibration range of the flocculation model. From a local analysis of floc dynamics in homogenous turbulence, we identify that the floc size distribution is mainly controlled by floc cohesion and yield strength. The uncertainty in fractal dimension plays a minor role for the floc size but it influences the resulting floc density and settling velocity. The transport analysis in the current boundary layer shows that the flocculation process alters the vertical distribution of the settling velocity and hence the sediment concentration with a strong dependence on cohesion, floc yield strength, and floc structure. When the flocs are more susceptible to breaking, a well-mixed concentration profile is obtained. In contrast, for flocs with higher cohesion or yield strength, higher concentration with a sharp gradient is observed close to the bed. Overall, the settling velocity exhibits a low vertical variability within 20 % of the depth-averaged value except near the bed. Further, this suggests that using a depth-averaged settling velocity yields acceptable predictions of the sediment concentration profiles, especially for flocs with lower cohesion.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Resolving Confined 7 Li Dynamics of Uranyl Peroxide Capsule U 24

Here, we obtained a kerosene-soluble form of the lithium salt [UO 2 (O 2 )(OH) 2 ] 24 phase (Li-U 24 ), by adding cetyltrimethylammonium bromide surfactant to aqueous Li-U 24 . Interestingly, its variable-temperature solution 7 Li NMR spectroscopy resolves two narrowly spaced resonances down to –10 °C, which shift upfield with increasing temperature, and finally coalesce at temperatures > 85 °C. Comparison with solid-state NMR demonstrates that the Li dynamics in the Li-U 24 -CTA phase involves only exchange between different local encapsulated environments. This behavior is distinct from the rapid Li exchange dynamics observed between encapsulated and external Li environments for Li-U 24 in both the aqueous and the solid-state phases. Density functional theory calculations suggest that the two experimental 7 Li NMR chemical shifts are due to Li cations coordinated within the square and hexagonal faces of the U 24 cage, and they can undergo exchange within the confined environment, as the solution is heated. Very different than U 24 in aqueous media, there is no evidence that the Li cations exit the cage, and therefore, this represents a truly confined space.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Initial TCV operation with a baffled divertor

The Tokamak à Configuration Variable (TCV) tokamak is in the midst of an upgrade to further its capability to investigate conventional and alternative divertor configurations. To that end, modular and removable gas baffles have been installed to decrease the coupling between the divertor and the plasma core. The baffles primarily seek to suppress the transit of recycling neutrals to closed flux surfaces. A first experimental campaign with the gas baffles has shown that the baffled divertor remains compatible with a wide range of configurations including snowflake and super-X divertors. Plasma density ramp experiments reveal an increase of the neutral pressure in the divertor by up to a factor ×5 compared to the unbaffled divertor and thereby qualitatively confirm simulations with the SOLPS-ITER code that were used to guide the baffle design. Finally, together with a range of new and upgraded divertor diagnostics, the baffled TCV divertor is now used to validate divertor models for ITER and next step devices with particular emphasis on geometric variations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

High‐density linkage map reveals QTL underlying growth traits in AP13×VS16 biparental population of switchgrass

Abstract Switchgrass ( Panicum virgatum L.), a native warm‐season perennial grass, is being considered as a feedstock for biofuel production in the United States. To expedite its genetic improvement and enhance genetic gain per selection cycle, application of marker‐assisted selection is indispensable. A high‐density linkage map was constructed in a pseudo‐F 1 testcross mapping population of AP13×VS16, consisting of 349 progenies. A total of 8,757 single nucleotide polymorphism (SNP) markers generated through genotype‐by‐sequencing (GBS) were used to construct the linkage map. The total map length spans up to 2,540.2 cM with the marker density of one marker in every 0.25–0.34 cM. Spring green‐up (SG), days to flowering (FL), and the vegetative growth period (VP) data were analyzed and used for quantitative trait loci (QTL) mapping. The population showed significant variations and exhibited transgressive segregation for SG, FL, and VP. QTL analyses were performed using trait mean of each year and location along with BLUP (best linear unbiased prediction) values of the traits. A total of 35, 37, and 34 QTL for SG, FL, and VP, respectively, were identified. Phenotypic variability explained by each QTL ranged from 11.29% to 27.85%. The additive genetic effects of individual QTL ranged from −1.81 to 2.40, −6.12 to 7.58, and −16.01 to 6.38 for SG, FL, and VP, respectively. Comparing major QTL regions in the switchgrass genome, 20 candidate genes were identified which were reported to be involved in growth‐, development‐, and flowering‐related traits in switchgrass.

Ali, Shahjahan↗
DOE OSTI2018

Collaborative Project: Ocean-Atmosphere Interaction From Meso- to Planetary-Scale: Mechanisms, Parameterization, and Variability

The project focused on the dynamics and scale dependence of the boundary layer response, the coupled responses in the Pacific, and low frequency oceanic processes. Using theory and model simulations, we found coupling of sea surface temperatures associated with the ocean eddy field and the atmospheric boundary layer be dependent on scale, and captured in wave-number space by transfer functions. Investigations of coupled processes focused on the sea surface temperatures scales of eastern boundary upwelling system, and showed stability and eddy variance in the Kuroshio Extension to be predictable with lead times of several years through ocean Rossby waves and coupling with the atmosphere. In addition to these dynamical processes, we found that a significant part of the ocean evolution is associated with density compensating temperature and salinity anomalies, that, unlike Rossby waves, behave like passive tracers and follow the mean circulation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Forecasting Solar-Thermal Systems Performance under Transient Operation Using a Data-Driven Machine Learning Approach Based on the Deep Operator Network Architecture

Modeling and prediction of the dynamic behavior of thermal systems operating under intermittent energy input and variable load requirements represent one of the greatest challenges in the development of efficient and reliable renewable-based power generation technologies. In this work, a data-driven machine learning modeling framework was developed based on a modified version of the Deep Operator Network architecture where the time coordinate in the trunk net is replaced with historical data of the predicting quantity. The modeling framework can be used to accurately predict the performance of renewable-based energy conversion technologies including wind- and solar-based power plants. This novel framework was applied on a solar-thermal system that consists of a solar collection loop using a flat plate collector, a power generation loop comprising an Organic Rankine Cycle, and a thermal energy storage tank connecting both loops. Variable solar irradiance, air temperature, and power load profiles were used by the Deep Operator Network to predict the State-of-Charge and the efficiency of the thermal system for several days. The results were compared with the State-of-Charge and efficiency functions calculated using a physics-based model. For a simple operation scenario, characterized by a clear sky solar irradiance profile and constant load, the standard deviation in the State-of-Charge prediction by Deep Operator Network is below 0.9% during a seven-day prediction time horizon. For the most realistic operation scenario that considers real solar irradiance and a rough load profile, the maximum standard deviation in the predictions for the State-of-Charge and efficiency are below 6.8% and 2.5%, respectively. A comparison between Deep Operator Network and Long Short Term Memory network was also performed. In general, both networks predict very well the State-of-Charge for different data density conditions; however, a higher accuracy, with a standard deviation below 2.0%, is obtained by the Deep Operator Network during three and half days using sparser training data of 20-minute points. The same accuracy for the State-of-Charge prediction with the Long Short Term Memory network is achieved only for 14 h. Average standard deviations for the State-of-Charge prediction of 1.1% with the Deep Operator Network and 1.5% with the Long Short Term Memory network are obtained for a four-day prediction time using a denser training data of 5-minute points.

DeepONet↗
DOE OSTI2018

Wheat rhizosphere harbors a less complex and more stable microbial co-occurrence pattern than bulk soil

The rhizosphere harbors complex microbial communities, whose dynamic associations are considered critical for plant growth and health but remain poorly understood. We constructed co-occurrence networks for archaeal, bacterial and fungal communities associated with the rhizosphere and bulk soil of wheat fields on the North China Plain. Rhizosphere co-occurrence networks had fewer nodes, edges, modules and lower density, but main- tained more robust structure compared with bulk soil, suggesting that a less complex topology and more stable co-occurrence pattern is a feature for wheat rhizosphere. Bacterial and fungal communities followed a power-law distribution, while the archaeal community did not. Soil pH and microbial diversity were significantly correlated with network size and connectivity in both rhizosphere and bulk soils. Keystone species that played essential roles in network structure were predicted to maintain a flexible generalist metabolism, and had fewer significant correlations with environmental variables, especially in the rhizosphere. These results indicate that distinct mi- crobial co-occurrence patterns exist in wheat rhizosphere, which could be associated with variable agricultural ecosystem properties.

Co-occurrence pattern↗
DOE OSTI2025

Microstructural Assessment of Molybdenum Disulfide Coatings Using Nanoindentation Hardness

MoS 2 coatings are used extensively in aerospace and defense applications due to their ultralow friction and high wear resistance. Burnished and resin-bonded MoS 2 coatings are commonly used in these applications due to simplicity in deposition and history of use, despite issues with consistency in coating properties and performance. Physical vapor deposition (PVD) of MoS 2 thin films has emerged as a process alternative in the past 50 years, promising far greater control over film structure and composition but at a greater cost. Despite PVD’s benefits, hesitance to adoption persists in high-consequence applications, not only due to increased costs but variability in resulting coating properties. These variations in properties and subsequent performance are in part due to the complexity of the PVD process and the sensitive interplay between coating process-structure-property relationships. This work aims to demystify the remaining uncertainties of the process-structure-property relationships in PVD MoS 2 . The microstructure and mechanical and tribological properties of 61 different PVD pure MoS 2 coatings are examined herein. Emphasis has been placed on developing performance-based (i.e., hardness, modulus) metrics that can assess microstructural changes (density, orientation, and crystallinity) and be utilized to accelerate process development and coating optimization. Relationships established within suggest that nanoindentation hardness can be used to infer coating performance (i.e., wear rate) and properties (i.e., density, crystalline texture, and stoichiometry). Furthermore, this work demonstrates that PVD MoS 2 coatings close to the theoretical density of MoS 2 consistently have the best tribological performance and can be reliably identified by their hardness.

MoS2↗
DOE OSTI2021

Decadal changes in fire frequencies shift tree communities and functional traits

Global change has resulted in chronic shifts in fire regimes. Variability in the sensitivity of tree communities to multi-decadal changes in fire regimes is critical to anticipating shifts in ecosystem structure and function, yet remains poorly understood. Here, we address the overall effects of fire on tree communities and the factors controlling their sensitivity in 29 sites that experienced multi-decadal alterations in fire frequencies in savanna and forest ecosystems across tropical and temperate regions. Fire had a strong overall effect on tree communities, with an average fire frequency (one fire every three years) reducing stem density by 48% and basal area by 53% after 50 years, relative to unburned plots. Here, the largest changes occurred in savanna ecosystems and in sites with strong wet seasons or strong dry seasons, pointing to fire characteristics and species composition as important. Analyses of functional traits highlighted the impact of fire-driven changes in soil nutrients because frequent burning favoured trees with low biomass nitrogen and phosphorus content, and with more efficient nitrogen acquisition through ectomycorrhizal symbioses. Taken together, the response of trees to altered fire frequencies depends both on climatic and vegetation determinants of fire behaviour and tree growth, and the coupling between fire-driven nutrient losses and plant traits.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Impact of winds from intermediate-mass stars on molecular cloud structure and turbulence

Observations of nearby molecular clouds detect “shells,” which are likely caused by winds from young main sequence stars. However, the progenitors of these observed features are not well characterized and the mass-loss rates inferred from the gas kinematics are several orders of magnitude greater than those predicted by atomic line-driven stellar wind models. We use magnetohydrodynamic simulations to model winds launching within turbulent molecular clouds and explore the impact of wind properties on cloud morphology and turbulence. We find that winds do not produce clear features in turbulent statistics such as the Fourier spectra of density and momentum but do impact the Fourier velocity spectrum. The density and velocity distribution functions, especially as probed by CO spectral lines, strongly indicate the presence and influence of winds. We show that stellar mass-loss rates for individual stars must be m-dot {sub w}≳10{sup −7} M{sub ⊙} yr{sup −1}, similar to those estimated from observations, to reproduce shell properties. Consequently, we conclude that B and A-type main sequence stars have mass-loss rates several orders of magnitude larger that those predicted by models or that young stars are more variable than expected due to magnetic activity or accretion.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Origin of Ferromagnetic Exchange Coupling in Donor–Acceptor Biradical Analogues of Charge-Separated Excited States

A new donor–acceptor biradical complex, Tp Cum,Me Zn(SQ-VD) (Tp Cum,Me Zn + = zinc(II) hydro-tris(3-cumenyl-5-methylpyrazolyl)borate complex cation; SQ = orthosemiquinone; VD = oxoverdazyl), which is a ground-state analogue of a charge-separated excited state, has been synthesized and structurally characterized. Here, the magnetic exchange interaction between the S = 1/2 SQ and the S = 1/2 VD within the SQ-VD biradical ligand is observed to be ferromagnetic, with $J_{SQ-VD}$ = +77 cm –1 (H = -2$J_{SQ-VD}\bar{S}_{SQ}·\bar{S}_{VD}$) determined from an analysis of the variable-temperature magnetic susceptibility data. The pairwise biradical exchange interaction in Tp Cum,Me Zn(SQ-VD) can be compared with that of the related donor–acceptor biradical complex Tp Cum,Me Zn(SQ-NN) (NN = nitronyl nitroxide, S = 1/2), where $J_{SQ-NN}$ ≅ +550 cm –1 . This represents a dramatic reduction in the biradical exchange by a factor of ~7, despite the isolobal nature of the VD and NN acceptor radical SOMOs. Computations assessing the magnitude of the exchange were performed using a broken-symmetry density functional theory (DFT) approach. These computations are in good agreement with those computed at the CASSCF NEVPT2 level, which also reveals an S = 1 triplet ground state as observed in the magnetic susceptibility measurements. A combination of electronic absorption spectroscopy and CASSCF computations has been used to elucidate the electronic origin of the large difference in the magnitude of the biradical exchange coupling between Tp Cum,Me Zn(SQ-VD) and Tp Cum,Me Zn(SQ-NN). A Valence Bond Configuration Interaction (VBCI) model was previously employed to highlight the importance of mixing an SQ SOMO → NNLUMO charge transfer configuration into the electronic ground state to facilitate the stabilization of the high-spin triplet (S = 1) ground state in Tp Cum,Me Zn(SQ-NN). Here, CASSCF computations confirm the importance of mixing the pendant radical (e.g., VD, NN) LUMO (VD LUMO and NN LUMO ) with the SOMO of the SQ radical (SQ SOMO ) for stabilizing the triplet, in addition to spin polarization and charge transfer contributions to the exchange. An important electronic structure difference between Tp Cum,Me Zn(SQ-VD) and Tp Cum,Me Zn(SQ-NN), which leads to their different exchange couplings, is the reduced admixture of excited states that promote ferromagnetic exchange into the Tp Cum,Me Zn(SQ-VD) ground state, and the intrinsically weaker mixing between the VD LUMO and the SQ SOMO compared to that observed for Tp Cum,Me Zn(SQ-NN), where this orbital mixing is significant. The results of this comparative study contribute to a greater understanding of biradical exchange interactions, which are important to our understanding of excited-state singlet–triplet energy gaps, electron delocalization, and the generation of electron spin polarization in both the ground and excited states of (bpy)Pt(CAT-radical) complexes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Reliable electrochemical phase diagrams of magnetic transition metals and related compounds from high-throughput ab initio calculations

Abstract Magnetic transition metals (mTM = Cr, Mn, Fe, Co, and Ni) and their complex compounds (oxides, hydroxides, and oxyhydroxides) are highly important material platforms for diverse technologies, where electrochemical phase diagrams with respect to electrode potential and solution pH can be used to effectively understand their corrosion and oxidation behaviors in relevant aqueous environments. Many previous decades-old mTM–Pourbaix diagrams are inconsistent with various direct electrochemical observations, because experimental complexities associated with extracting reliable free energies of formation (Δ f G ) lead to inaccuracies in the data used for modeling. Here, we develop a high-throughput simulation approach based on density-functional theory (DFT), which quickly screens structures and compounds using efficient DFT methods and calculates accurate Δ f G values, using high-level exchange-correlation functions to obtain ab initio Pourbaix diagrams in comprehensive and close agreement with various important electrochemical, geological, and biomagnetic observations reported over the last few decades. We also analyze the microscopic mechanisms governing the chemical trends among the Δ f G values and Pourbaix diagrams to further understand the electrochemical behaviors of mTM-based materials. Last, we provide probability profiles at variable electrode potential and solution pH to show quantitatively the likely coexistence of multiple-phase areas and diffuse phase boundaries.

Huang, Liang-Feng (ORCID:0000000329375183)↗
DOE OSTI2021

Spatial Decorrelation of Young Stars and Dense Gas as a Probe of the Star Formation–Feedback Cycle in Galaxies

The spatial decorrelation of dense molecular gas and young stars observed on ≲1 kpc scales in nearby galaxies indicates rapid dispersal of star-forming regions by stellar feedback. In this work, we explore the sensitivity of this decorrelation to different processes controlling the structure of the interstellar medium, the abundance of molecular gas, star formation, and feedback in a suite of simulations of an isolated dwarf galaxy with structural properties similar to NGC 300 that self-consistently model radiative transfer and molecular chemistry. Our fiducial simulation reproduces the magnitude of decorrelation and its scale dependence measured in NGC 300, and we show that this agreement is due to different aspects of feedback, including H 2 dissociation, gas heating by the locally variable UV field, early mechanical feedback, and supernovae. In particular, early radiative and mechanical feedback affects the correlation on ≲100 pc scales, while supernovae play a significant role on ≳ 100 pc scales. The correlation is also sensitive to the choice of the local star formation efficiency per free fall time, ϵ ff , which provides a strong observational constraint on ϵ ff when the global star formation rate is independent of its value. Finally, we explicitly show that the degree of correlation between the peaks of molecular gas and star formation density is directly related to the distribution of the lifetimes of star-forming regions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Multi-variable mathematical models for the air-cathode microbial fuel cell system

This research adopted the version control system into the model construction for the single chamber air-cathode microbial fuel cell (MFC) system, to understand the interrelation of biological, chemical, and electrochemical reactions. The anodic steady state model was used to consider the chemical species diffusion and electric migration influence to the MFC performance. In the cathodic steady state model, the mass transport and reactions in a multi-layer, abiotic cathode and multi-bacteria cathode biofilm were simulated. Transport of hydroxide was assumed for cathodic pH change. This assumption is an alternative to the typical notion of proton consumption during oxygen reduction to explain elevated cathode pH. The cathodic steady state model provided the power density and polarization curve performance results that can be compared to an experimental MFC system. Another aspect we considered was the relative contributions of platinum catalyst and microbes on the cathode to the oxygen reduction reaction (ORR). We found simulation results showed that the biocatalyst in a cathode that includes a Pt/C catalyst likely plays a minor role in ORR, contributing up to 8% of the total power calculated by the models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

A real-time distributed solid oxide electrolysis cell (SOEC) model for cyber-physical simulation

System integration and dynamic operability between SOEC and balance-of-plant (BoP) components are major technical challenges before realizing rapid load following of SOEC systems. Cyber-physical simulation (CPS) is a leading-edge digital engineering approach and is regarded as the next step beyond Digital Twins. CPS approach can be used to research SOEC system integration and develop dynamic controls prior to actual pilot testing without using a real SOEC. To seamlessly couple with BoP hardware and access non-observable operational parameters (e.g., local temperature gradient) during transients, a distributed one-dimensional (1D) real-time SOEC model was developed. Its real-time execution was demonstrated for 20 to 640 nodes at the fixed time step of 5 ms. A higher excess air ratio enabled smaller local temperature gradients on SOEC solid materials and faster transients upon current density step change from 0.15 to 0.55 A cm -2 . During the transients, the magnitude of the peak temperature gradient nearly doubled in 10 s from -3.5 to -5.9 °C cm -1 . This represents a significant operating risk that can impact the dynamic operability of SOEC systems. In addition, the local temperature gradient was found to change directions on all nodes in SOEC solid materials, with the greatest impact on the upstream nodes. The SOEC model was also tested at the thermal neutral voltage using actual process air flow parameters as variable model inputs. Variable process air temperatures were found to induce alternating local temperature gradients on SOEC solid materials. These are new operational mechanisms for SOEC degradation relevant for load following operational modes yet distinct from previous reports. To mitigate these unfavorable features, the SOEC can be operated at voltages that are slightly (±20 mV) deviated from the thermal neutral voltage. Here, the corresponding net thermal energy change was less than 1.6% of the electric power consumption. This 1D real-time SOEC model established the basis of cyber-physical simulation of SOEC hybrid systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Ultrasonic characterization of material heterogeneities in stainless steel components produced by laser powder bed fusion

We introduce pulse-echo ultrasound as a method for characterizing the impact of powder bed fusion parameters on the properties of additively manufactured stainless-steel components, their material anisotropy, and location-dependent heterogeneity. Our results indicate that accurate characterization requires careful selection of ultrasonic propagation paths, which must consider the direction of additive layering, variations in processing parameters, and the component's geometry. We employed two distinct methods to estimate material properties from ultrasonic data: One assumes isotropy, while the other accounts for anisotropic interactions during the propagation of elastic waves. When applied to samples fabricated with laser energy densities ranging from 24 to 42 J/mm³ , these methods revealed transverse isotropy and weak anisotropy (quantified by small Thomsen parameters, ε = 0.0651 and γ = 0.0092) and less than a ∼6 % change in acoustic impedance. The assumption of isotropy, in this case, leads to small errors (less than 4 % or 1 % for Young's modulus in the build or transverse directions) when estimating orthotropic material properties using ultrasonic data measured along just two orthogonal directions, one of which must align with the build direction. By comparing ultrasonic measurements — which aggregate the spatial variability in material properties along the length of elastic wave propagation into a single value — with localized measurements obtained from surface nanoindentation, we uncovered and spatially profiled significant differences between the surface and interior properties. Specifically, the surface Young's modulus decreased from approximately 210 GPa to 180 GPa within a depth of about 3 mm. We attribute this surface-localized heterogeneity in PBF-fabricated components to distinct thermal histories experienced by the surface and interior regions. Collectively, the results of this study establish a framework for the ultrasonic characterization of material heterogeneity and anisotropy in material properties and demonstrate its application in additively manufactured metal components.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Modeling Surface-Enhanced Raman Scattering of Au-Pyrazine and Au-Pyrazine-Au Nanorod Dimer Systems with the TD-DFTB Method

This study investigates Raman scattering from a pyrazine molecule adsorbed on gold nanorod surfaces using the time-dependent density functional tight-binding (TD-DFTB) method. We analyze surface enhanced Raman scattering (SERS) of the molecule for two configurations: one where the molecule is adsorbed on a single gold nanorod forming Au-pyrazine complex, and another where it forms a nano-junction Au-pyrazine-Au dimer system. These two configurations offer distinct chemical environments for the molecule and different local field enhancements, with the dimer systems generating enhanced hotspot regions at the junctions. We present results for nanojunction, Au-pyrazine-Au dimer structures, for variable nanogap sizes that lead to shift in the plasmon energy. The study identifies contributions to the SERS enhancements from chemical, electromagnetic, and resonance charge transfer mechanisms. Our results show that the chemical mechanism provides enhancement factors in the range of 10 2 –10 3 , while the electromagnetic enhancements are on the order of 10 3 –10 5 for monomer systems and 10 6 –10 8 for dimer structures. We present results for a nanorod with a length of 5.3 nm and a width of 0.52 nm, consisting of 121 gold atoms.

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

Chapter 4: "Waste"-to-Energy for Decarbonization - Transforming Nut Shells Into Carbon-Negative Electricity

This chapter presents a study demonstrating waste pistachio nut shells as a renewable feedstock for climate-friendly electricity generation via industrial gasification technology. The study includes biomass feedstock characterization (i.e., pistachio waste critical material attributes), process variability (i.e., bulk material handling), and overall operational reliability and conversion performance through extended testing. Additionally, techno-economic analysis (TEA) and life cycle assessment (LCA) were performed to assess the economic feasibility and environmental impact of the technology to transform agricultural waste to biopower. For processing pistachio waste material, among critical material attributes, fines content in the biomass (<1/4") had the largest potential to reduce the operating time of the gasifiers due to plugging. Pelletizing fines and co-feeding them with the mixed pistachio waste increased the average feed density, feed rate, and biochar production. Compared to pine wood chips, mixed pistachio waste yielded higher biochar quantity but slightly reduced quality. In general, a systematic Quality by Design methodology is the preferred approach for designing preprocessing and material conveyance systems, where a downstream technology (end user) for the produced intermediate is specified at the outset. TEA results show that the biochar production rate and selling price had an overwhelming impact on the modeled Minimum Electricity Selling Price (MESP), which ranged from 35.5 to 39.9 cents/kWh for the cases studied (16 h/day operational basis). Moreover, LCA results show that the valorization of pistachio shells for biopower generation is a "carbon negative" process that can help decarbonize the U.S. electricity grid. The specific carbon intensity was -0.29 to -0.71 kg CO2e/kWh, compared to 0.45 kg CO2e/kWh for the average U.S. electricity mix. Biochar production from pistachio waste as a potential means for carbon sequestration was a significant driver for the LCA. The highly stable biochar permanently sequesters a considerable fraction of biochar carbon in the ground, more than enough to offset the life cycle emissions, and can be a complementary climate change mitigation strategy.

bio-char↗