Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “predictive synthesis”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 595 records · Page 33

Biosynthesis of polycyclopropanated high energy biofuels

Cyclopropane-functionalized hydrocarbons are excellent fuels due their high energy density. However, the organic synthesis of these molecules is challenging and harmful to the environment. In this work we produced polycyclopropanated fatty acids in bacteria. These molecules can be easily converted into renewable fuels for high energy applications such as shipping, long-haul transport, aviation, and rocketry. We explored the chemical diversity encoded in the genome of thousands of bacteria to identify and repurpose naturally occurring cyclopropanated molecules. We identified a set of candidate iterative polyketide synthases (iPKSs) predicted to produce polycyclopropanated fatty acids (POP-FAs), expressed these PKSs in Streptomyces coelicolor and produced the POP-FAs. We determined the structure of the molecules and increased their production 22-fold. Polycyclopropanated fatty acid methyl esters (POP-FAMEs) were obtained by methyl esterifying the POP-FAs. Finally, we calculated that our POP fuel candidates can have energy densities of more than 50 MJ/L. Our research shows that POP-FAMEs and other polyketide derived POPs have the energetic properties for energy-demanding applications for which sustainable alternatives are scarce.

09 BIOMASS FUELS↗

Asymmetrical C–C Coupling for Electroreduction of CO on Bimetallic Cu–Pd Catalysts

Electroreduction of carbon monoxide (CO) possesses great potential for achieving the renewable synthesis of hydrocarbon chemicals from CO 2 . We report here selective reduction of CO to acetate using Cu–Pd bimetallic electrocatalysts. High activity and selectivity are demonstrated for CO-to-acetate conversion with >200 mA/cm 2 in geometric current density and >65% in Faradaic efficiency (FE). An asymmetrical C–C coupling mechanism is proposed to explain the composition-dependent catalytic performance and high selectivity toward acetate. This mechanism is supported by the computationally predicted shift of the *CO adsorption from the top-site configuration on Cu (or Cu-rich) surfaces to the bridge sites of Cu–Pd bimetallic surfaces, which is also associated with the reduction of the CO hydrogenation barrier. Further kinetic analysis of the reaction order with respect to CO and Tafel slope supports a reaction pathway with *CO–*CHO recombination following a CO hydrogenation step, which could account for the electroreduction of CO to acetate on the Cu–Pd bimetallic catalysts. Furthermore, our work highlights how heteroatomic alloy surfaces can be tailored to enable distinct reaction pathways and achieve advanced catalytic performance beyond monometallic catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Statistical Multiobjective Optimization of Thiospinel CoNi 2 S 4 Nanocrystal Synthesis via Design of Experiments

Thiospinels, such as CoNi 2 S 4 , are showing promise for numerous applications, including as catalysts for the hydrogen evolution reaction, hydrodesulfurization, and oxygen evolution and reduction reactions; however, CoNi 2 S 4 has not been synthesized as small, colloidal nanocrystals with high surface-area-to-volume ratios. Traditional optimization methods to control nanocrystal attributes such as size typically rely upon one variable at a time (OVAT) methods that are not only time and labor intensive but also lack the ability to identify higher-order interactions between experimental variables that affect target outcomes. Herein, we demonstrate that a statistical design of experiments (DoE) approach can optimize the synthesis of CoNi 2 S 4 nanocrystals, allowing for control over the responses of nanocrystal size, size distribution, and isolated yield. After implementing a 2 5–2 fractional factorial design, the statistical screening of five different experimental variables identified temperature, Co:Ni precursor ratio, Co:thiol ratio, and their higher-order interactions as the most critical factors in influencing the aforementioned responses. Second-order design with a Doehlert matrix yielded polynomial functions used to predict the reaction parameters needed to individually optimize all three responses. A multiobjective optimization, allowing for the simultaneous optimization of size, size distribution, and isolated yield, predicted the synthetic conditions needed to achieve a minimum nanocrystal size of 6.1 nm, a minimum polydispersity (σ/$\bar{d}$) of 10%, and a maximum isolated yield of 99%, with a desirability of 96%. The resulting model was experimentally verified by performing reactions under the specified conditions. Furthermore, our work illustrates the advantage of multivariate experimental design as a powerful tool for accelerating control and optimization in nanocrystal syntheses.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Lattice disorder effect on magnetic ordering of iron arsenides

This study investigates magnetic ordering temperature in nano- and mesoscale structural features in an iron arsenide. Although magnetic ground states in quantum materials can be theoretically predicted from known crystal structures and chemical compositions, the ordering temperature is harder to pinpoint due to potential local lattice variations that calculations may not account for. In this work we find surprisingly that a locally disordered material can exhibit a significantly larger Néel temperature (T N ) than an ordered material of precisely the same chemical stoichiometry. Here, a EuFe 2 As 2 crystal, which is a ‘122’ parent of iron arsenide superconductors, is found through synthesis to have ordering below T N = 195 K (for the locally disordered crystal) or T N = 175 K (for the ordered crystal). In the higher T N crystals, there are shorter planar Fe-Fe bonds [2.7692(2) Å vs. 2.7745(3) Å], a randomized in-plane defect structure, and diffuse scattering along the [00 L] crystallographic direction that manifests as a rather broad specific heat peak. For the lower T N crystals, the a-lattice parameter is larger and the in-plane microscopic structure shows defect ordering along the antiphase boundaries, giving a larger T N and a higher superconducting temperature (T c ) upon the application of pressure. First-principles calculations find a strong interaction between c-axis strain and interlayer magnetic coupling, but little impact of planar strain on the magnetic order. Neutron single-crystal diffraction shows that the low-temperature magnetic phase transition due to localized Eu moments is not lattice or disorder sensitive, unlike the higher-temperature Fe sublattice ordering. This study demonstrates a higher magnetic ordering point arising from local disorder in 122.

36 MATERIALS SCIENCE↗

Heterologous expression of a fully active Azotobacter vinelandii nitrogenase Fe protein in Escherichia coli

ABSTRACT The functional versatility of the Fe protein, the reductase component of nitrogenase, makes it an appealing target for heterologous expression, which could facilitate future biotechnological adaptations of nitrogenase-based production of valuable chemical commodities. Yet, the heterologous synthesis of a fully active Fe protein of Azotobacter vinelandii ( Av NifH) in Escherichia coli has proven to be a challenging task. Here, we report the successful synthesis of a fully active Av NifH protein upon co-expression of this protein with Av IscS/U and Av NifM in E. coli . Our metal, activity, electron paramagnetic resonance, and X-ray absorption spectroscopy/extended X-ray absorption fine structure (EXAFS) data demonstrate that the heterologously expressed Av NifH protein has a high [Fe 4 S 4 ] cluster content and is fully functional in nitrogenase catalysis and assembly. Moreover, our phylogenetic analyses and structural predictions suggest that Av NifM could serve as a chaperone and assist the maturation of a cluster-replete Av NifH protein. Given the crucial importance of the Fe protein for the functionality of nitrogenase, this work establishes an effective framework for developing a heterologous expression system of the complete, two-component nitrogenase system; additionally, it provides a useful tool for further exploring the intricate biosynthetic mechanism of this structurally unique and functionally important metalloenzyme. IMPORTANCE The heterologous expression of a fully active Azotobacter vinelandii Fe protein (AvNifH) has never been accomplished. Given the functional importance of this protein in nitrogenase catalysis and assembly, the successful expression of AvNifH in Escherichia coli as reported herein supplies a key element for the further development of heterologous expression systems that explore the catalytic versatility of the Fe protein, either on its own or as a key component of nitrogenase, for nitrogenase-based biotechnological applications in the future. Moreover, the “clean” genetic background of the heterologous expression host allows for an unambiguous assessment of the effect of certain nif-encoded protein factors, such as AvNifM described in this work, in the maturation of AvNifH, highlighting the utility of this heterologous expression system in further advancing our understanding of the complex biosynthetic mechanism of nitrogenase.

59 BASIC BIOLOGICAL SCIENCES↗

Surface-mediated spontaneous emulsification of the acylated peptide, semaglutide

Acylated peptides composed of glucagon-like peptide-1 receptor agonists modified with a fatty acid side chain are an important class of therapeutics for type 2 diabetes and obesity but are susceptible to an unusual physical instability in the presence of hydrophobic surfaces, i.e., spontaneous emulsification, also known as ouzo formation in practice. In this work, light scattering, small-angle X-ray scattering, and circular dichroism measurements are used to characterize the physical properties of the semaglutide colloidal phase, including size distribution, shape, secondary structure, internal structure, and internal composition, as a function of solution physico-chemical conditions. The existence and size of the colloids formed are successfully predicted by a classical Rayleigh model, which identifies the parameters controlling their size and formation. Colloid formation is found to be catalyzed by hydrophobic surfaces, and formation rates are modeled as an autocatalytic reaction, enabling the formation of a master curve for various surfaces that elucidates the mechanism. Surfaces differ due to differences in surface wettability, which can be correlated with Hansen solubility parameters. This work provides insights into this unusual colloidal phenomenon and guides the peptide synthesis process and drug product formulation in the pharmaceutical industry.

59 BASIC BIOLOGICAL SCIENCES↗

Artificial Intelligence Transforming Post-Translational Modification Research

Post-Translational Modifications (PTMs) are covalent changes to amino acids that occur after protein synthesis, including covalent modifications on side chains and peptide backbones. Many PTMs profoundly impact cellular and molecular functions and structures, and their significance extends to evolutionary studies as well. In light of these implications, we have explored how artificial intelligence (AI) can be utilized in researching PTMs. Initially, rationales for adopting AI and its advantages in understanding the functions of PTMs are discussed. Then, various deep learning architectures and programs, including recent applications of language models, for predicting PTM sites on proteins and the regulatory functions of these PTMs are compared. Finally, our high-throughput PTM-data-generation pipeline, which formats data suitably for AI training and predictions is described. We hope this review illuminates areas where future AI models on PTMs can be improved, thereby contributing to the field of PTM bioengineering.

59 BASIC BIOLOGICAL SCIENCES↗

NGEE Arctic CO2, CH4 and Energy Eddy-Covariance (EC) Flux Tower Auxiliary Measurements, Utqiagvik (Barrow), Alaska, 2012 - 2019

Measurements began in September 2012 and are generally made throughout the snow-free growing season starting from April (pre-thawing) until November (freeze-up) when the instrumentation is taken down for maintenance and instrument calibration. CO2, CH4 and energy fluxes using the Eddy Covariance (EC) technique (Baldocchi 2003) and meteorological measurements are reported as 30-minute averages. The tower site is registered with AmeriFlux as US-NGB. See http://ameriflux.lbl.gov/sites/siteinfo/US-NGB for more information. Reported data include: (1) additional/extra meteorological and eddy covariance CO2, CH4 and energy flux data, (2) binned spectra for the three wind components, the sonic temperature and gas densities together with the binned cospectra for covariances of w (vertical wind component) and gas densities, (3) binned ogives (cumulative (co)spectra) for the three wind components, the sonic temperature and gas densities, and (4) tower site footprint matrices. Meteorological and eddy covariance CO2, CH4 and energy flux data (AmeriFlux BASE data product) are available from AmeriFlux https://doi.org/10.17190/AMF/1436326. The tower site is adjacent to the NGEE Arctic Tram system with several complementary time-series measurements https://doi.org/10.5440/1558782.This dataset supersedes the previously released dataset "Eddy-Covariance and auxiliary measurements, NGEE-Barrow, 2012-2013" DOI:10.5440/1124200 as this new product includes data for the longer time period processed using consistent methods for the entire record. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) near Utqiagvik (Barrow), Alaska and 2) multiple areas in the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

NGEE Arctic CO2, CH4 and Energy Eddy-Covariance (EC) Flux Tower Auxiliary Measurements, Council Road Mile Marker 71, Seward Peninsula, Alaska, 2017 - 2019

Measurements began in July 2017 and are made year-round (2017 seasonal only) on the tussock tundra with discontinuous permafrost at the Council Road Site on the Seward Peninsula. CO2, CH4 and energy fluxes using the Eddy Covariance (EC) technique (Baldocchi 2003) and meteorological measurements are reported as 30-minute averages. The tower site is registered with AmeriFlux as US-NGC. See http://ameriflux.lbl.gov/sites/siteinfo/US-NGC for more information. Reported data include: (1) additional/extra meteorological and eddy covariance CO2, CH4 and energy flux data, (2) binned spectra for the three wind components, the sonic temperature and gas densities together with the binned cospectra for covariances of w (vertical wind component) and gas densities, (3) binned ogives (cumulative (co)spectra) for the three wind components, the sonic temperature and gas densities, and (4) tower site footprint matrices. The majority of the files are *.csv with paired visualization footprint files as *.jpg. Meteorological and eddy covariance CO2, CH4 and energy flux data (AmeriFlux BASE data product) are available from AmeriFlux BASE US-NGC NGEE Arctic Council (Torn, 2020) https://doi.org/10.17190/AMF/1634883. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) near Utqiagvik (Barrow), Alaska and 2) multiple areas in the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

Engineering the atomic structure of sequence-defined peptoid polymers and their assemblies

Peptoids are a family of sequence-defined, non-natural biomimetic polymers which show excellent properties including good chemical and enzymatic stability and high structural tunability. The solid-phase submonomer synthesis method allows precise control over the identity and sequence of chemically diverse side chains, enabling the atomic engineering of their chemical structures for a variety of applications. This unprecedented level of structural control enables access to atomically defined three-dimensional chain conformations and assemblies, facilitating the design and optimization of a variety of nanoscale architectures that can function in biology and materials science. In order to approach the rational design of peptoid materials in a more predictive and precise manner, it is crucial to fully understand how chemical information, in the form of the monomer sequence, encodes their folding and assembly into structurally defined, functional 3D shapes. Furthermore, this perspective focuses on recent studies into the atomic engineering of peptoid nanostructures by examining the impact of sequence variations on their secondary and three-dimensional structures, as well as their functional properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Towards grounding nuclear physics in QCD

Exascale computing could soon enable a predictive theory of nuclear structure and reactions rooted in the Standard Model, with quantifiable and systematically improvable uncertainties. Such a predictive theory will help exploit experiments that use nucleons and nuclei as laboratories for testing the Standard Model and its limitations. Examples include direct dark matter detection, neutrinoless double beta decay, and searches for permanent electric dipole moments of the neutron and atoms. It will also help connect QCD to the properties of cold neutron stars and hot supernova cores. We discuss how a quantitative bridge between QCD and the properties of nuclei and nuclear matter will require a synthesis of lattice QCD (especially as applied to two- and three- nucleon interactions), effective field theory, and ab initio methods for solving the nuclear many-body problem. While there are significant challenges that must be addressed in developing this triad of theoretical tools, the rapid advance of computing is accelerating progress. In particular, we focus this review on the anticipated advances from lattice QCD and how these advances will impact few-body effective theories of nuclear physics by providing critical input, such as constraints on unknown low-energy constants of the effective (field) theories. We also review particular challenges that must be overcome for the successful application of lattice QCD for low-energy nuclear physics. We describe progress in developing few-body effective (field) theories of nuclear physics, with an emphasis on HOBET, a non-relativistic effective theory of nuclear physics, which is less common in the literature. We use the examples of neutrinoless double beta decay and the nuclear-matter equation of state to illustrate how the coupling of lattice QCD to effective theory might impact our understanding of symmetries and exotic astrophysical environments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

A Machine Learning Approach for the Prediction of Formability and Thermodynamic Stability of Single and Double Perovskite Oxides

Perovskite oxides continue to attract huge interest due to their fascinating and wide-ranging properties for diverse applications. The tunability of these properties may be further enhanced by increasing their compositional complexity via double perovskite-ordered configurations containing multiple cations. In this work, we focus on an exhaustive chemical space of single and double oxide perovskites and optimally explore this space to identify novel compositions that are likely to form stable compounds. Critically, we examine the relationship between formability, the practical ability to synthesize a compound, and stability, the thermodynamic preference to form the structure. Our formability and stability training data sets were enumerated from the available experimental literature and in-house density functional theory computations and contained 1505 and 3469 examples, respectively, representing state-of-the-art in the current open literature in perovskite and double perovskite compounds. Subsequently, cross-validated and highly accurate machine learning classification models are built using these training data sets and employed to screen for novel stable oxide perovskites. The study identifies (1) atomic features relevant to prediction of formability and stability in perovskite and double perovskite compounds, (2) the importance of including energy contributions due to local structural relaxations going beyond the high symmetry perovskite phase, and (3) 437,828 double perovskite compounds that are likely to be stable and 891,188 compounds that are likely to be formable. From the intersection of this large chemical space of formable and stable oxide perovskites, 414 compositions are identified as the most promising candidates for future experimental synthesis of novel oxide perovskites. The developed models may be generalized and have implications beyond perovskite discovery if applied to other families of compounds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Adapting UFF4MOF for Heterometallic Rare-Earth Metal–Organic Frameworks

Heterometallic metal–organic frameworks based on rare-earth metals (RE-MOFs) have potential in a number of applications where energy transfer between nearby metal atoms is required. This observation implies that it is important to understand the level of local mixing that is achieved between metals of different types during synthesis of RE-MOFs. Density functional theory calculations can give quantitative information on the relative energy of different configurations of RE-MOFs, but these calculations cannot be applied to the full range of medium- and long-range orderings that are possible in heterometallic materials. This limitation can be overcome using force field (FF)-based calculations if appropriate FFs are available. In this work, we show that an existing generic FF for MOFs, UFF4MOF, does not accurately predict energies of mixing in heterometallic Nd/Yb MOFs and introduce a modified FF to address this shortcoming. The resulting FF is used to explore metal orderings in large simulation volumes for a Nd/Yb MOF, illustrating the complexities that can arise in the structure of heterometallic RE-MOFs.

36 MATERIALS SCIENCE↗

Scalable Synthesis and Characterization of Multilayer γ-Graphyne, New Carbon Crystals with a Small Direct Band Gap

γ-Graphyne is the most symmetric sp 2 /sp 1 allotrope of carbon, which can be viewed as graphene uniformly expanded through the insertion of two-carbon acetylenic units between all the aromatic rings. To date, synthesis of bulk γ-graphyne has remained a challenge. In this work, we report the synthesis of multilayer γ-graphyne through crystallization-assisted irreversible cross-coupling polymerization. A comprehensive characterization of this new carbon phase is described, including synchrotron powder X-ray diffraction, electron diffraction, lateral force microscopy, Raman spectroscopy, infrared spectroscopy, and cyclic voltammetry. Experiments indicate that γ-graphyne is a 0.48 eV band gap semiconductor, with a hexagonal a-axis spacing of 6.88 Å and an interlayer spacing of 3.48 Å, which is consistent with theoretical predictions. The observed crystal structure has an aperiodic sheet stacking. The material is thermally stable up to 240 °C but undergoes transformation at higher temperatures. While conventional 2D polymerization and reticular chemistry rely on error correction through reversibility, we demonstrate that a periodic covalent lattice can be synthesized under purely kinetic control. The reported methodology is scalable and inspires extension to other allotropes of the graphyne family.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Autonomous phase mapping of gold nanoparticles synthesis with differentiable models of spectral shape

Autonomous experimentation–or self-driving labs–offers a systematic approach to accelerate materials discovery by integrating automated synthesis, characterization, and data-driven decision-making. We present a closed-loop workflow for the on-demand synthesis and structural characterization of colloidal gold nanoparticles, enabling direct mapping from composition to nanoscale structure. Our framework leverages differentiable models of spectral shape to address two central tasks in self-driving labs: (a) phase mapping, or identifying compositional regions with distinct structural behavior; and (b) material retrosynthesis, or optimizing compositions for target structure. Using functional data analysis, we develop a data-driven model with generative pre-training, active learning, and high-throughput experiments to predict spectral responses across composition space. We demonstrate the approach on seed-mediated growth of gold nanoparticles, showcasing its ability to extract design rules, reveal secondary interactions, and efficiently navigate morphology space. Gradient-based optimization of the models enables inverse design, making this a unified platform.

36 MATERIALS SCIENCE↗

Demographic analysis of invasible habitat fraction identifies context‐dependent roles of resource availability and biotic resistance in determining invasion success

Abstract Theories of plant invasions predict that plant communities should be more easily invaded when resources increase and/or competition decreases. We tested this with an experimentally introduced plant population by manipulating precipitation and resident community biomass. We used a spatially explicit demographic approach to develop a new population‐level metric of invasibility that quantifies the invasible habitat fraction (IHF) across the landscape. The existing community was essentially uninvasible (median IHF ≈ 0%), but experimental manipulations greatly increased the range of outcomes, with maximum observed IHF values over 50%. However, changes in invasibility were often context‐dependent, resulting in some outcomes that aligned with existing theory, and others that were not readily predicted. Moreover, variation in invasibility was often driven by specific sets of invader demographic vital rates. Removing competitors revealed the capacity for strong biotic resistance, but this interacted with precipitation such that little biotic resistance was detected under drought conditions. Adding precipitation typically had little positive effect on invasibility, and moderate drought relief led to relatively high invasibility. However, the latter was driven to a large extent by interactions with mammal herbivory that otherwise inhibited invasion in one year. Synthesis . Our findings show that interactions between abiotic and biotic factors, as well as legacy effects, can strongly mediate invasibility. This study also highlights the importance of incorporating spatial heterogeneity into population‐level assessments of invasion, as initial population declines do not necessarily indicate resistance to invasion.

Griffith, Alden B.↗

Continuous soil temperature and soil deformation measurements, Teller road Mile 47, Nome, Alaska.

The dataset comprises Soil Temperature and Deformation monitoring data gathered from a watershed situated along the Nome-Teller road at Mile 47 in Alaska. Its primary objective is to enhance comprehension of deformation mechanisms in permafrost environments by using 51 probes designed following Wielandt et al. (2022). The dataset comprises a description of Probe_ID, Location, start time, end time and probe length in the "ProbesLocations_StartEndDates.csv" file, the 51 data files encapsulated within "Data_files.zip" and the computed deformation for 2023 and 2022 in "Deformation_T47.zip".Each file in Data_files.zip is named as followed "ProbeId_StartMonth_EndMonth.csv". Within each file, the initial column denotes the timestamp in UTC, followed by the sensor’s battery voltage and temperature and acceleration values (X, Y, Z) in subsequent columns. The data collection frequency is set at 30-minute intervals. Each file in Deformation_T47.zip is named as followed "ProbeId_Temp_def_year.csv". Within each file, the initial column denotes the timestamp in UTC, followed by the temperature at each sensor and cumulative deformation from last to first sensor in subsequent columns. The data collection is daily averaged.This dataset forms an integral component of the Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic). The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research.The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska.Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

Continuous soil temperature measurements from 2019-10-4 to 2020-10-4, Teller road Mile 27, Seward Peninsula, Alaska

The dataset contains depth-resolved soil temperature measured at 45 discrete locations in a watershed located along the Nome-Teller road at Mile 27 in Seward Peninsula, Alaska. The dataset was generated to understand the local heterogeneity of soil thermal dynamics and their controls in a discontinuous permafrost region. At each location, temperatures were measured by a distributed temperature profiling probe designed based on Dafflon et al (2022). The dataset includes a description of the probe locations in the "Probe_locations.csv" file and the 45 data files (Soil_temperatures_*.csv). Metadata files include data descriptions (_dd.csv) for tabular data. All included files are listed and described in NGA513_flmd.csv.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research.The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska.Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗