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DOE OSTI2022

Hybrid Capture for Net-Negative Emissions

The Energy & Environmental Research Center, in partnership with the U.S. Department of Energy and North Dakota ethanol producer Red Trail Energy, LLC (RTE), completed an initial engineering design (IED) for a potential hybrid capture system at the RTE CCS (carbon capture and storage) site. The RTE CCS Project is currently operating a CO2 capture facility, adjacent to the RTE ethanol facility in western North Dakota, and injecting the CO2 more than a mile below RTE property for permanent storage. This novel process would add capturing CO2 produced from natural gas boilers to the existing bioprocessing capture system to achieve a net-negative CO2 emissions industrial process at commercial scale (~310,000 tonnes/yr CO2). Initial findings of the IED showed the hybrid system to be technically viable with a moderate estimated cost of $55/tonne CO2 captured for the hybrid system. A cradle-to-gate life cycle assessment (LCA) was also conducted, showing preliminary net-negative carbon emissions potential anticipated from implementing a hybrid CCS system at a commercial scale. Recommended next steps toward potential implementation include hybrid capture system demonstration testing for detailed engineering and LCA model comparisons with low-carbon fuel incentive programs for financial support.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2020

Getting to Neutral: Options for Negative Carbon Emissions in California

This report is an assessment of negative emissions pathways - ones that physically remove CO 2 from the atmosphere - that can help California achieve carbon neutrality by 2045, or sooner. It integrates original research findings with current published research on three main pillars of negative emissions: natural and working lands, carbon capture from biomass conversion to fuels, and direct air capture. The focus and scope of this report is unique: it only addresses practices and technologies for removing carbon dioxide from the air. It also encompasses the entire breadth of strategies, from land management to the latest technological options, and it evaluates the cost of every step of the solution, from waste biomass collection to carbon dioxide transport and geologic storage. The methods are intended to be transparent; details of the calculations and underlying data are included in the report body and appendices. This study intentionally avoids any discussion of policies and does not include current incentives; it provides a range of options, tradeoffs and costs that can be used to inform future policies. The key finding of this report is that carbon neutrality is achievable.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2023

The Circular Home: Development and Demonstration of a Net Negative Carbon, Reusable Residence

This project started the development of an innovative modular building system intended for residential construction. The project was centered around single-family homes that were carbon-negative cradle-to-grave over a 100 year time frame, which is approximately double the current standard for operational life. The project sought to accomplish this objective by designing the modular home in a manner that ensures circularity, where the main house components can be used over several consecutive 50-year lifespans. To accomplish these objectives, this project utilized integrated design with the inclusion of life-cycle assessment to design the single-family house for architectural, structural, energy, mechanical, thermal, and moisture demands, while ensuring carbon negativity and annual net-zero energy use. The core technology of this project was the use of cross-laminated timber and biogenic materials, such as wood-fiber insulation, in the construction of the modular building units. The robustness and factory manufacturing ability of cross-laminated timber allow for factory construction of most of the home, which minimizes on-site time, saving money and reducing construction waste. During this project, initial milestones were met that delivered the architectural plans for the circular home and an initial structural testing matrix. Compared to current code-built homes, which average 13 kg CO2eq. / ft2 and are demolished at their end of life, the circular home has an estimated -30 kg CO2eq. / ft2 of embodied carbon emissions during its first build iteration. It is estimated that approximately 60%-70% of the total building mass could be reused and/or recycled during subsequent rebuilds. This project was concluded at approximately the 1/3 point and a separate project was established to conclude the remaining milestones. This project promises to benefit the public by delivering another option for single-family, and eventually multi-family, housing using a novel building construction system. The system of reusable modular construction facilitates not only lower emissions during the first building iteration, but also lower emissions during subsequent iterations that drastically reduce waste and help society meet its climate goals. Many other industries, such as clothing and technology sectors, are starting to focus on circularity and this project adds the residential building construction industry to that list.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2026

Transient Stability Study of IEEE 2800-2022 Standard Negative-Sequence-Current Compliant GFM IBRs

The primary function of grid-forming (GFM) inverter-based resources (IBRs) is to maintain voltage and fre- quency/phase angle stability; however, during unbalanced grid faults, IEEE Std. 2800-2022 requires IBRs to inject both positive- and negative-sequence reactive current. Enforcing compliance with this standard could compromise the stability of GFM IBRs under such fault conditions. This paper presents a preliminary transient stability study focused on the power angle stability of GFM IBRs operating in compliance with IEEE Std. 2800 during unbalanced faults. The goal is to assess potential stability issues associated with the standard's current injection requirements under fault ride-through conditions. The results show that injecting positive-sequence current with d-axis priority during unbalanced faults better preserves the power angle stability than the q-axis priority while still enabling negative-sequence current injection. These findings suggest that, to ensure stability, GFM IBRs might need to partially comply with IEEE Std. 2800 by prioritizing positive-sequence current injection along the d-axis.

14 SOLAR ENERGY↗

DOE OSTI2021

MONTI: A Multi-Omics Non-negative Tensor Decomposition Framework for Gene-Level Integrative Analysis

Multi-omics data is frequently measured to enrich the comprehension of biological mechanisms underlying certain phenotypes. However, due to the complex relations and high dimension of multi-omics data, it is difficult to associate omics features to certain biological traits of interest. For example, the clinically valuable breast cancer subtypes are well-defined at the molecular level, but are poorly classified using gene expression data. Here, we propose a multi-omics analysis method called MONTI (Multi-Omics Non-negative Tensor decomposition for Integrative analysis), which goal is to select multi-omics features that are able to represent trait specific characteristics. Here, we demonstrate the strength of multi-omics integrated analysis in terms of cancer subtyping. The multi-omics data are first integrated in a biologically meaningful manner to form a three dimensional tensor, which is then decomposed using a non-negative tensor decomposition method. From the result, MONTI selects highly informative subtype specific multi-omics features. MONTI was applied to three case studies of 597 breast cancer, 314 colon cancer, and 305 stomach cancer cohorts. For all the case studies, we found that the subtype classification accuracy significantly improved when utilizing all available multi-omics data. MONTI was able to detect subtype specific gene sets that showed to be strongly regulated by certain omics, from which correlation between omics types could be inferred. Furthermore, various clinical attributes of nine cancer types were analyzed using MONTI, which showed that some clinical attributes could be well explained using multi-omics data. We demonstrated that integrating multi-omics data in a gene centric manner improves detecting cancer subtype specific features and other clinical features, which may be used to further understand the molecular characteristics of interest. The software and data used in this study are available at: https://github.com/inukj/MONTI.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

Willow Biomass Crops Are a Carbon Negative or Low-Carbon Feedstock Depending on Prior Land Use and Transportation Distances to End Users

Few life cycle assessments (LCAs) on willow biomass production have investigated the effects of key geographically specific parameters. This study uses a spatial LCA model for willow biomass production to determine spatially explicit greenhouse gas (GHG) emissions and energy return on investment (EROI), including land use conversion from pasture and cropland or grassland. There were negative GHG emissions on 92% of the land identified as suitable for willow biomass production, indicating this system’s potential for climate change mitigation. For willow planted on cropland or pasture, life cycle GHG emissions ranged from −53.2 to −176.9 kg CO2eq Mg-1. When willow was grown on grassland the projected decrease in soil organic carbon resulted in a slightly positive GHG balance. Changes in soil organic carbon (SOC) associated with land use change, transportation distance, and willow yield had the greatest impacts on GHG emissions. Results from the uncertainty analysis exhibited large variations in GHG emissions between counties arising from differences in these parameters. The average EROI across the entire region was 19.2. Willow biomass can be a carbon negative or low-carbon energy source with a high EROI in regions with similar infrastructure, transportation distances, and growing conditions such as soil characteristics, land cover types, and climate.

09 BIOMASS FUELS↗

DOE OSTI2024

SF6 Negative Ion Formation in Charge Transfer Experiments

In the present work, we report an update and extension of the previous ion-pair formation study of Hubers, M.M.; Los, J. Chem. Phys. 1975, 10, 235–259, noting new fragment anions from time-of-flight mass spectrometry. The branching ratios obtained from the negative ions formed in K + SF6 collisions, in a wide energy range from 10.7 up to 213.1 eV in the centre-of-mass frame, show that the main anion is assigned to SF5− and contributing to more than 70% of the total ion yield, followed by the non-dissociated parent anion SF6− and F−. Other less intense anions amounting to <20% are assigned to SF3− and F2−, while a trace contribution at 32u is tentatively assigned to S− formation, although the rather complex intramolecular energy redistribution within the temporary negative ion is formed during the collision. An energy loss spectrum of potassium cation post-collision is recorded showing features that have been assigned with the help of theoretical calculations. Quantum chemical calculations for the lowest-lying unoccupied molecular orbitals in the presence of a potassium atom are performed to support the experimental findings. Apart from the role of the different resonances participating in the formation of different anions, the role of higher-lying electronic-excited states of Rydberg character are noted.

Biochemistry & Molecular Biology↗

DOE OSTI2021

Negative Index Metamaterial Lens for Subwavelength Microwave Detection

Metamaterials are engineered periodic structures designed to have unique properties not encountered in naturally occurring materials. One such unusual property of metamaterials is the ability to exhibit negative refractive index over a prescribed range of frequencies. A lens made of negative refractive index metamaterials can achieve resolution beyond the diffraction limit. This paper presents the design of a metamaterial lens and its use in far-field microwave imaging for subwavelength defect detection in nondestructive evaluation (NDE). Theoretical formulation and numerical studies of the metamaterial lens design are presented followed by experimental demonstration and characterization of metamaterial behavior. Finally, a microwave homodyne receiver-based system is used in conjunction with the metamaterial lens to develop a far-field microwave NDE sensor system. A subwavelength focal spot of size 0.82λ was obtained. The system is shown to be sensitive to a defect of size 0.17λ × 0.06λ in a Teflon sample. Consecutive positions of the defect with a separation of 0.23λ was resolvable using the proposed system.

47 OTHER INSTRUMENTATION↗

DOE OSTI2023

Maximizing Wave Energy Converter Power Extraction by Utilizing a Variable Negative Stiffness Magnetic Spring

Complex conjugate impedance matching is a key concept for wave energy converter design. Matching the impedance of the power take-off (PTO) system to the complex conjugate of the wave energy converter's (WEC) impedance ensures efficient transfer of energy from the WEC body motion to electrical power. In low frequency waves, impedance matching often requires a negative PTO stiffness. In this paper, an adjustable stiffness magnetic torsion spring will be presented and modeled to understand its potential to improve WEC performance. The spring has the ability to provide a negative stiffness, allowing the PTO impedance to more closely match the complex conjugate of the WEC impedance at low frequencies. The spring also supports an adjustable stiffness value, meaning it can be tuned according to the incoming wave conditions. The spring's tunability may put less stress on the rest of the PTO system in wave conditions outside its normal operation zone without sacrificing electrical power output. The adjustable magnetic spring's effects are modeled and explored in this paper by examining the resultant average annual electrical power and capacity factor. The study suggests that the tunable magnetic spring has the potential to significantly improve capacity factor while maintaining a high average electrical power.

16 TIDAL AND WAVE POWER↗

DOE OSTI2025

ARCANE Reweighting: A Monte Carlo Technique to Tackle the Negative Weights Problem in Collider Event Generation

Negatively weighted events, which appear in the Monte Carlo (MC) simulation of particle collisions, significantly increases the computational resource requirements of current and future collider experiments. This paper introduces and theoretically discusses an MC technique called ARCANE reweighting for reducing or eliminating negatively weighted events. The technique works by redistributing (via an additive reweighting) the contributions of different pathways within an event generator that lead to the same final event. The technique is exact and does not introduce any biases in the distributions of physical observables. A companion paper demonstrates the technique for a physics example.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

General circulation models simulate negative liquid water path–droplet number correlations, but anthropogenic aerosols still increase simulated liquid water path

General circulation models' (GCMs) estimates of the liquid water path adjustment to anthropogenic aerosol emissions differ in sign from other lines of evidence. This reduces confidence in estimates of the effective radiative forcing of the climate by aerosol–cloud interactions (ERFaci). The discrepancy is thought to stem in part from GCMs' inability to represent the turbulence–microphysics interactions in cloud-top entrainment, a mechanism that leads to a reduction in liquid water in response to an anthropogenic increase in aerosols. In the real atmosphere, enhanced cloud-top entrainment is thought to be the dominant adjustment mechanism for liquid water path, weakening the overall ERFaci. We show that the latest generation of GCMs includes models that produce a negative correlation between the present-day cloud droplet number and liquid water path, a key piece of observational evidence supporting liquid water path reduction by anthropogenic aerosols and one that earlier-generation GCMs could not reproduce. However, even in GCMs with this negative correlation, the increase in anthropogenic aerosols from preindustrial to present-day values still leads to an increase in the simulated liquid water path due to the parameterized precipitation suppression mechanism. This adds to the evidence that correlations in the present-day climate are not necessarily causal. We investigate sources of confounding to explain the noncausal correlation between liquid water path and droplet number. These results are a reminder that assessments of climate parameters based on multiple lines of evidence must carefully consider the complementary strengths of different lines when the lines disagree.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Positive and Negative Ion CIMS Measurements, SGP, May-June 2024

The negative ion measurements were taken using two LTOF-CIMS with two different nitrate inlets. The data labeled Aerodyne_Inlet used an Aerodyne nitrate inlet. Data labeled PCC used a custom transverse inlet. The positive ion measurements were taken using one LTOF-CIMS with hydronium as an ionization reagent using a custom transverse inlet with an inlet voltage difference of 700 V. See https://doi.org/10.1021/acs.jpca.2c01672 for more information. Peaks were autofit using tofware. Positive ion data is published in the form of peak signal/reagent signal. Data files of peak signal/reagent signal for the two mass spectrometers for the negative ion measurements are separate. Concentrations of H2SO4 are combined into one file. When measurements were overlapping, measurements from the Aerodyne nitrate inlet were used.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Achievement of Reactor-Relevant Performance in Negative Triangularity Shape in the DIII-D Tokamak

Plasma discharges with a negative triangularity (δ=−0.4) shape have been created in the DIII-D tokamak with a significant normalized beta (βN=2.7) and confinement characteristic of the high confinement mode (H98y2=1.2) despite the absence of an edge pressure pedestal and no edge localized modes (ELMs). These inner-wall-limited plasmas have a similar global performance as a positive triangularity (δ=+0.4) ELMing H-mode discharge with the same plasma current, elongation and cross sectional area. For cases both of dominant electron cyclotron heating with Te/Ti>1 and dominant neutral beam injection heating with Te/Ti=1, turbulent fluctuations over radii 0.5<ρ<0.9 were reduced by 10–50% in the negative triangularity shape compared to the matching positive triangularity shape, depending on the radius and conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Rechargeable alkaline battery using organic materials as negative electrodes

An energy storage device may provide a positive electrode, an electrolyte, and a negative electrode. The energy storage device may utilize an aqueous alkaline electrolyte, which may be nonflammable. The energy storage device may utilize organic material(s) as the negative electrode, such as, but not limited to, poly(anthraquinonyl sulfide) (PAQS), organic carbonyl compounds, organosulfur compounds, redox polymers, or radical polymers.

25 ENERGY STORAGE↗

DOE OSTI2023

Developing a Carbon Negative Biorefinery for Organic Waste Valorization

Production of bio-based chemicals have become increasingly attractive as efforts to meet carbon neutrality goals expand. Diverse organic waste feedstocks can be valorized via arrested anaerobic digestion and chain elongation to produce important key intermediates, such as medium chain carboxylic acids. Our work aims to develop a carbon negative biorefinery that funnels multiple organic waste feedstocks into a chemically consistent stream of carboxylic acids that are then upgraded to exemplary carbon negative products. The pairing of a hydrolysis reactor with a chain elongation reactor will allow each biological step to be optimized to improve the ability to valorize a variety of organic waste streams. Specifically, this work has so far been aimed at screening for potential chain elongating organisms to produce VFAs and MCCAs of interest. Four chain elongating organisms were tested for their chain elongation potential with diverse single and mixed substrates. So far, Megasphaera elsdenii and Actinobacillus succinogenes have been tested to determine potential differences in titer as well as product speciation due to variations in pH. To do this, each organism was tested under 3 different substrate combinations with pH maintained at either 5.5, 6, or 7. With better understanding of their metabolic needs and optimal operating conditions, these chain elongating organisms could provide a valuable option to facilitate the chain elongation necessary to produce precursor molecules. In addition to optimizing the bioconversion steps, downstream processing of carboxylic acids is also a key component for the overall feasibility of the process. Our group previously developed a downstream in-situ product recovery (ISPR) process for continuously recovering bio-based carboxylic acids from fermentation broth. The ISPR includes: (i) a solid-liquid separation as a cell retention device, (ii) a liquid-liquid extraction (LLE) to selectively extract the desired bio-based acids, and (iii) a distillation to obtain the neat product. The integrated process was demonstrated at bench-scale and is now scaled up for pilot-scale operations. A more cost-efficient membrane-based emulsion separation is introduced for LLE in downstream separation process with greatly promoted mass transfer, leading to -2800 times smaller needed membrane area than membrane contactors to achieve the same butyric acid extraction rate.

BIOMASS FUELS↗

DOE OSTI2024

ABC -Auxetics: An Implicit Design Approach for Negative Poisson's Ratio Materials

A novel methodology is introduced for designing auxetic (negative Poisson's ratio) structures based on topological principles and is demonstrated by investigating a new class of auxetics based on two-dimensional (2D) textile weave patterns. Conventional methodology for designing auxetic materials typically involves determining a single deformable block (a unit cell) of material whose shape results in auxetic behavior. Consequently, patterning such a unit cell in a 2D (or 3D) domain results in a larger structure that exhibits overall auxetic behavior. Such an approach naturally relies on some prior intuition and experience regarding which unit cells may be auxetic. Second, tuning the properties of the resulting structures is typically limited to parametric variations of the geometry of a specific type of unit cell. Thus, most of the currently known auxetic structures belong to a selected few classes of unit cell geometries that are explicitly defined in accordance with a specified topological (i.e., grid structure). Herein, a new class of auxetic structures is demonstrated that, while periodic, can be generated implicitly, i.e., without reference to a specific unit cell design. The approach leverages weave-based parameters (A–B–C), resulting in a rich design space for auxetics that is previously unexplored.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Direct and Inverse Photoelectron Spectroscopy Evidence for a Revised Picture of Electronic States of Negative Polarons in n‐Doped C 60

Abstract Determining the electronic levels associated with polarons, the fundamental charge carriers in organic semiconductors, is key to understanding the charge transport properties of these materials. Recent findings challenge the traditional view of these electronic levels by highlighting the importance of intra‐molecular Coulomb interactions in polarons. Experimental evidence was previously presented for a revised model of the negative polaron in the case of the polymer semiconductor poly(NDI2OD‐T 2 ); there, the addition of an excess electron was seen to lead to the emergence of a singly occupied state within the energy gap of the undoped material and an unoccupied state above the edge of the conduction states . Here, focus is on a small‐molecule semiconductor, C 60 , and spectral evidence is provided of a similar picture for the new states appearing upon polaron formation. Specifically, direct and inverse photoemission spectroscopy is used to investigate the density of states in C 60 films n‐doped with two dimeric dopants. The Coulomb interaction energy (Hubbard U ) of the C 60 anion is experimentally determined to be ≈1.1 eV, a value that aligns closely with theoretical predictions.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Size Effect of Negative Capacitance State and Subthreshold Swing in Van der Waals Ferrielectric Field–Effect Transistors

Analytical calculations corroborated by the finite element modeling show that thin films of Van der Waals ferrielectrics covered by a 2D-semiconductor are promising candidates for the controllable reduction of the dielectric layer capacitance due to the negative capacitance (NC) effect emerging in the thin films. The NC state is conditioned by energy-degenerated poly-domain states of the ferrielectric polarization induced in the films under incomplete screening conditions in the presence of a dielectric layer. Calculations performed for the FET-type heterostructure “ferrielectric CuInP 2 S 6 film—2D-MoS 2 single-layer—SiO 2 dielectric layer” reveal the pronounced size effect of the multilayer capacitance. Derived analytical expressions for the electric polarization and multilayer capacitance allow to predict the thickness range of the dielectric layer and ferrielectric film for which the NC effect is the most pronounced in various Van der Waals ferrielectrics, and the corresponding subthreshold swing becomes much less than the Boltzmann's limit. Obtained results can be useful for the size and temperature control of the NC effect in the steep-slope ferrielectric FETs.

36 MATERIALS SCIENCE↗