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DOE OSTI2026

Nanoengineering of non-aqueous liquid electrolyte solutions for future lithium metal batteries

Research and development of non-aqueous electrolyte solutions are essential for practical advancement towards the production of high-energy lithium metal batteries (LMBs). An ideal LMB electrolyte solution should enable highly efficient, uniform and prolonged lithium metal plating and stripping, preserve the electrodes’ electro(chemo)mechanical properties and ensure compatibility with all cell components. However, despite extensive research efforts, scientists have yet to achieve an electrolyte design that meets these requirements simultaneously. Here, by examining the nanoengineering aspects of various non-aqueous electrolyte solution designs, we elucidate the understanding of the nanoscale physicochemical and electrochemical processes taking place in LMBs, which are mainly governed by the thermodynamic and kinetic properties of the electrolyte system. We also explore emerging research directions and propose an accelerated, iterative framework that integrates nanoengineering principles with machine learning, high-throughput computation and experimentation to facilitate the development of next-generation non-aqueous electrolyte solutions for practical LMBs.

Weintz, Dominik↗

DOE OSTI2026

Innovations in underground hydrogen storage with multiphysics simulations, optimization, and monitoring: A review

Underground Hydrogen Storage (UHS) is a promising solution for large-scale energy storage and a critical component in advancing low-carbon energy system. Ensuring the safety and efficiency of UHS necessitates a comprehensive understanding of multiphysical interactions driven by cyclic pore fluid pressure fluctuations and coupled physicochemical processes. Here, this review examines the key geomechanical responses in UHS, including rock property variations under cyclic loading, fracture evolution and propagation, reservoir stress sensitivity, and fault stability. It also explores the impact of geochemical and microbial reactions on geomechanical characteristics. We provide an in-depth analysis of Thermal-Hydraulic-Mechanical-Chemical (THMC) coupled numerical simulations, highlighting their potential for future multi-scale modeling. Limitations of current machine learning (ML) approaches in addressing UHS challenges are highlighted, emphasizing the need for innovative ML-based methodologies. Operational strategies for hydrogen injection and production are reviewed, focusing on safety, efficiency, and economic viability. The necessity for multi-objective optimization (MOO) to balance storage efficiency, risk mitigation, and cost-effectiveness is also discussed. Current monitoring technologies are evaluated to ensure safe and efficient UHS operations. Finally, this review identifies critical knowledge gaps and underscores the importance of advancing geomechanical understanding under multiphysics-coupling. We highlight the need for ML-driven multiphysics theories, enhanced modeling techniques, and robust optimization strategies to improve UHS performance. This study serves as a comprehensive reference for future research and the large-scale implementation of UHS systems.

25 ENERGY STORAGE↗

DOE OSTI2025

Probing the pH Effect on Boehmite Particles in Water Using Vacuum Ultraviolet Single-Photon Ionization Mass Spectrometry

Boehmite has been widely used in theoretical research and industry, especially for hazardous material processing. For the liquid-phase treating process, the interfacial properties of boehmite are believed to be affected by pH conditions, which change its physicochemical behavior. However, molecular-level detection on cluster ions is challenging when using bulk approaches. Herein we employ in situ vacuum ultraviolet single-photon ionization mass spectrometry (VUV SPI-MS) coupled with a vacuum-compatible microreactor system for analysis at the liquid–vacuum interface (SALVI) to investigate the solute molecular composition of boehmite under different pH conditions for the first time. The mass spectral results show that more complex clustering of solute molecules exists at the solid–liquid (s–l) interface than conventionally perceived in a “simple” aqueous solution. Besides solute ions, such as boehmite molecules and fragments, the composition and appearance energies of these newly discovered solvated cluster ions are determined by VUV SPI-MS in different pH solutions. We offer new results for the pH-dependent effect of boehmite and provide insights into a more detailed solvation mechanism at the s–l interface. By comparing the key products under different pH conditions, fundamental understanding of boehmite dissolution is revealed to assist the engineering design of waste processing and storage solutions.

SALVI↗

DOE OSTI2024

Unveiling the Essential Parameters Driving Mineral Reactions during CO2 Storage in Carbonate Aquifers through Proxy Models

Numerical simulation is a commonly employed technique for studying carbon dioxide (CO2) storage processes in porous media, particularly saline aquifers. It enables the representation of diverse trapping mechanisms and the assessment of CO2 retention capacity within the subsurface. The intricate physicochemical phenomena involved necessitate the incorporation of multiphase flow, accurate depiction of fluid and rock properties, and their interactions. Among these factors, geochemical reaction rates and mechanisms are pivotal for successful CO2 trapping in carbonate reactive rocks. However, research on kinetic parameters and the influence of lithology on CO2 storage remains limited. This limitation is partly due to the challenges faced in laboratory experiments, where the time scale of the reactions and the lack of in situ conditions hinder accurate measurement of mineral reaction rates. This study employs proxy models constructed using response surfaces calibrated with simulation results to address uncertainties associated with geochemical reactions. Monte Carlo simulation is utilized to explore a broader range of parameters and identify influential factors affecting CO2 mineralization. The findings indicate that an open database containing kinetic parameters can support uncertainty assessment. Additionally, the proxy models effectively represent objective functions related to CO2 injectivity and mineralization, with calcite dissolution playing a predominant role. pH, calcite concentration, and CO2 injection rate significantly impact dolomite precipitation, while quartz content remains unaffected.

58 GEOSCIENCES↗

DOE OSTI2020

Kinetics and Mechanisms of ZnO to ZIF-8 Transformations in Supercritical CO2 Revealed by in situ X-ray Diffraction

ZIF-8 was synthesized in supercritical carbon dioxide (scCO2). In situ powder X-ray diffraction, ex situ microscopy and simulations, provides a encompassing view of the formation of ZIF-8 and intermediary ZnO@ZIF-8 composites in this nontraditional solvent. Time-resolved imaging exposed divergent physicochemical reaction pathways from previous studies of the growth of anisotropic ZIF-8 core@shell structures in traditional solvents. Synthetically relevant physio-chemical properties of scCO2 were integrated into classical nucleation theory, relating interfacial forces with 3D nu-cleation outcomes. The kinetics of crystallization were examined and displayed a characteristic signature of time- and temperature-dependent mechanisms over the extent of the reaction. Lastly, we show that subtle factors, such as the extent of reaction and the size/shape of sacrificial templates can tailor ZIF-8 composition and size, eliciting control over hierarchical porosity in a nonconventional green solvent.

Sinnwell, Michael A.↗

NASA NTRS2000

In Situ Aerosol Size Distributions and Clear Column Radiative Closure During ACE-2

As part of the second Aerosol Characterization Experiment (ACE-2) during June and July of 1997, aerosol size distributions were measured on board the CIRPAS Pelican aircraft through the use of a DMA and two OPCS. During the campaign, the boundary layer aerosol typically possessed characteristics representative of a background marine aerosol or a continentally influenced aerosol, while the free tropospheric aerosol was characterized by the presence or absence of a Saharan dust layer. A range of radiative closure comparisons were made using the data obtained during vertical profiles flown on four missions. Of particular interest here are the comparisons made between the optical properties as determined through the use of measured aerosol size distributions and those measured directly by an airborne 14-wavelength sunphotometer and three nephelometers. Variations in the relative humidity associated with each of the direct measurements required consideration of the hygroscopic properties of the aerosol for size distribution based calculations. Simultaneous comparison with such a wide range of directly measured optical parameters not only offers evidence of the validity of the physicochemical description of the aerosol when closure is achieved, but also provides insight into potential sources of error when some or all of the comparisons result in disagreement. Agreement between the derived and directly measured optical properties varied for different measurements and for different cases. Averaged over the four case studies, the derived extinction coefficient at 525 nm exceeded that measured by the sunphotomoter by 2.5% in the clean boundary later, but underestimated measurements by 13% during pollution events. For measurements within the free troposphere, the mean derived extinction coefficient was 3.3% and 17% less than that measured by the sunphotometer during dusty and nondusty conditions, respectively. Likewise, averaged discrepancies between the derived and measured scattering coefficient were -9.6%, +4.7%, +17%, and -41% for measurements within the clean boundary layer, polluted boundary layer, free troposphere with a dust layer, and free troposphere without a dust layer, respectively. Each of these quantities, as well as the majority of the > 100 individual comparisons from which they were averaged, were within estimated uncertainties.

Collins, D. R.↗

DOE OSTI2023

Explainability and extrapolation of machine learning models for predicting the glass transition temperature of polymers

Abstract Machine learning (ML) offers promising tools to develop surrogate models for polymers' structure–property relations. Surrogate models can be built upon existing polymer data and are useful for rapidly predicting the properties of unknown polymers. The accuracy of such ML models appears to depend on the feature space representation of polymers, the range of training data, and learning algorithms. Here, we establish connections between these factors for predicting the glass transition temperature (T g ) of polymers. Our analysis suggests linear models with fewer fitting parameters are as accurate as nonlinear models with many hidden and unexplainable parameters. Also, the performance of a monomer topology‐based ML model is found to be qualitatively identical to that of a physicochemical descriptor‐based ML model. We find that the ML models's performance in the extrapolative region is enhanced as the property range of the training data increases. Moreover, we establish newT g – polymer chemistry correlations via ML. Our work illustrates how ML can advance the fundamental understanding of polymer structure–property correlations and its efficacy for extrapolation problems.

Polymer Science↗

NASA NTRS1999

In Situ Aerosol-Size Distributions and Clear-Column Radiative Closure During ACE-2

As part of the second Aerosol Characterization Experiment (ACE-2) during June and July of 1997, aerosol-size distributions were measured on board the CIRPAS Pelican aircraft through the use of a Differential Mobility Analyzer (DMA) and 2 Optical Particle Counters (OPCs). During the campaign, the boundary-layer aerosol typically possessed characteristics representative of a background marine aerosol or a continentally influenced aerosol, while the free-tropospheric aerosol was characterized by the presence or absence of a Saharan dust layer. A range of radiative closure comparisons were made using the data obtained during vertical profiles flown on 4 missions. Of particular interest here are the comparisons made between the optical properties as determined through the use of measured aerosol-size distributions and those measured directly by an airborne 14-wavelength sunphotometer and 3 nephelometers. Variations in the relative humidity associated with each of the direct measurements required consideration of the hygroscopic properties of the aerosol for size-distribution-based calculations. Simultaneous comparison with such a wide range of directly-measured optical parameters not only offers evidence of the validity of the physicochemical description of the aerosol when closure is achieved, but also provides insight into potential sources of error when some or all of the comparisons result in disagreement. Agreement between the derived and directly-measured optical properties varied for different measurements and for different cases. Averaged over the 4 case studies, the derived extinction coefficient at 525 nm exceeded that measured by the sunphotometer by 2.5% in the clean boundary layer, but underestimated measurements by 13% during pollution events. For measurements within the free troposphere, the mean derived extinction coefficient was 3.3% and 17% less than that measured by the sunphotometer during dusty and non-dusty conditions, respectively. Likewise, averaged discrepancies between the derived and measured scattering coefficient were -9.6%, +4.7%, +17%, and -41% for measurements within the clean boundary layer, polluted boundary layer, free troposphere with a dust layer, and free troposphere without a dust layer, respectively. Each of these quantities, as well as the majority of the more than 100 individual comparisons from which they were averaged, were within estimated uncertainties.

Collins, R.↗

DOE OSTI2021

Rational design of mechanically robust Ni-rich cathode materials via concentration gradient strategy

Mechanical integrity issues such as particle cracking are considered one of the leading causes of structural deterioration and limited long-term cycle stability for Ni-rich cathode materials of Li-ion batteries. Indeed, the detrimental effects generated from the crack formation are not yet entirely addressed. Here, applying physicochemical and electrochemical ex situ and in situ characterizations, the effect of Co and Mn on the mechanical properties of the Ni-rich material are thoroughly investigated. As a result, we successfully mitigate the particle cracking issue in Ni-rich cathodes via rational concentration gradient design without sacrificing the electrode capacity. Our result reveals that the Co-enriched surface design in Ni-rich particles benefits from its low stiffness, which can effectively suppress the formation of particle cracking. Meanwhile, the Mn-enriched core limits internal expansion and improve structural integrity. The concentration gradient design also promotes morphological stability and cycling performances in Li metal coin cell configuration.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Perspectives on Microfluidics for the Study of Asphaltenes in Upstream Hydrocarbon Production: A Minireview

The utilization of microfluidics has generated deep insights into asphaltene precipitation mechanisms and oil–water emulsion stabilization. Agglomeration and precipitation of asphaltenes can cause flow assurance problems during the extraction and transportation of crude oil. Change in temperature, pressure, reservoir conditions, and solvents can change the local environment, leading to asphaltene precipitation. Understanding asphaltene properties and precipitation pathways becomes critical in devising mitigation methods, demulsifiers, and suitable conditions during hydrocarbon processing. Microfluidics has helped in high throughput measurement studies, understanding critical processing conditions, fast demulsifier screening, and the effect of solvent concentration on deposition, generating useful information for utilization at the point of resource extraction facilitating improved resource management. It has become possible to capture the porous, complex nature of reservoir formations and the interaction of chemicals during precipitation through integrated analytics and visualization studies available only through microfluidics. The use of droplet microfluidics, with optical microscopy and high-speed imaging to study the oil–water interface, has resulted in greater understanding of the role of asphaltenes in interfacial properties and emulsion stabilization. Here, this minireview highlights the crucial aspects of microfluidics that have been used to understand physicochemical behavior and dynamics of asphaltene deposition. Some of the unique devices have been presented focusing on the key elements of microfluidics design, fabrication, and analysis, as the insight obtained from microfluidics strongly depends on the device design and the controllability of the experimental parameters. Successful implementation of microfluidics for efficient and controlled experiments, short analysis time scales and rapid screening, and generation of high-quality, reliable data that convey asphaltene deposition issues and interface behavior in emulsions shows the importance of microsystems for advancing knowledge in hydrocarbon production and processing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2023

Salt Distribution from Freezing Intrusions in Ice Shells on Ocean Worlds: Application to Europa

Several icy moons and dwarf planets appear to have hosted subsurface liquid water. Liquid water intruding upwards into the icy outer shells of these worlds freezes, forming ice and (from ocean solutes) non-ice solids. Here, we model concentrated aqueous solutions below 273 K to simulate the compositional evolution of freezing spherical intrusions. Starting solutions are based on five previously reported compositional end members for Europa's ocean. For moderate-pH end members dominated by chloride, sulfate, and/or carbonate, the solids formed include Ca-, Mg-, and Na-sulfates and -carbonates, as well as Na- and K-chlorides. For silica-rich, high-pH end members, abundant amorphous silica forms with, potentially, similarly abundant NaOH and KOH. We further develop a new numerical model to compute the spatial distribution of the formed solids and residual brine as freezing progresses. If non-ice solids settle to the bottom, their deposits tend to have stacked hourglass shapes, widening each time the crystallization temperature of a new solid is reached. We discuss the applicability of this model to vertical fractures and global freezing of a subsurface ocean. These results inform (i) how compositional heterogeneities may affect the thermophysical properties of ice shells, which in turn influence convective and cryovolcanic transport, (ii) the compatibility of brine pockets with physicochemical conditions suitable for microbial life, and (iii) possible measurements of compositional heterogeneities within ice shells by spacecraft such as NASA's Europa Clipper and ESA's JUICE missions. The methodology developed here is applicable to other ice-covered ocean worlds.

Planetary structure↗

NASA NTRS2010

Inferring Properties of Ancient Cyanobacteria from Biogeochemical Activity and Genomes of Siderophilic Cyanobacteria

Interrelationships between life and the planetary system could have simultaneously left landmarks in genomes of microbes and physicochemical signatures in the lithosphere. Verifying the links between genomic features in living organisms and the mineralized signatures generated by these organisms will help to reveal traces of life on Earth and beyond. Among contemporary environments, iron-depositing hot springs (IDHS) may represent one of the most appropriate natural models [1] for insights into ancient life since organisms may have originated on Earth and probably Mars in association with hydrothermal activity [2,3]. IDHS also seem to be appropriate models for studying certain biogeochemical processes that could have taken place in the late Archean and,-or early Paleoproterozoic eras [4, 5]. It has been suggested that inorganic polyphosphate (PPi), in chains of tens to hundreds of phosphate residues linked by high-energy bonds, is environmentally ubiquitous and abundant [6]. Cyanobacteria (CB) react to increased heavy metal concentrations and UV by enhanced generation of PPi bodies (PPB) [7], which are believed to be signatures of life [8]. However, the role of PPi in oxygenic prokaryotes for the suppression of oxidative stress induced by high Fe is poorly studied. Here we present preliminary results of a new mechanism of Fe mineralization in oxygenic prokaryotes, the effect of Fe on the generation of PPi bodies in CB, as well as preliminary analysis of the diversity and phylogeny of proteins involved in the prevention of oxidative stress in phototrophs inhabiting IDHS.

McKay, David S.↗

DOE OSTI2021

PREPARATION OF CLAY-COATED GLASS SURFACES FOR MICROFLUIDICS-BASED STUDY ON CLAY-FLUID INTERACTIONS

Unique characteristics of clay, even though make any clay abundant shales a good source of adsorbed gas, make them equally difficult to produce. The clay-water interaction can cause significant swelling and fines migration in the shale formation, both of which can significantly impair the overall hydrocarbon recovery from shale. Geomaterial micromodels, developed by functionalizing traditional glass or PDMS surface with geomaterials (e.g., calcite, quartz, clay) can represent the physico-chemical properties of the natural porous media and have been used during the last few years to understand and evaluate the solid-fluid physicochemical interactions. This study focuses on developing a clay-coated geomaterial surface and investigates the effect of base fluid's salinity on clay adsorption to the glass surface. Glass capillary tubes and straight channel borosilicate glass micromodels are coated with Illite clay minerals to represent the pore-scale clay chemistry of Caney Shale, a Mississippian unconventional play in Southern Oklahoma, USA. 10 wt.% of Illite clay slurries made with brines of four different salinities are used to coat the glass-capillary tubes to understand the effect of salinity in clay adsorption on the glass surface and overall coating quality. To achieve a stable coating and evaluate the impact of heat treatment on coating's stability, straight channel glass flow cells coated with Illite clay are heat-treated at low (25 °C) and high temperature (125 °C). Dynamic flooding tests were carried out with brines on the coated surface to evaluate the stability of the coating. The experiments' outcome indicated a strong relationship between the brine's salinity and the adsorption of clay particles on the glass surface. An increase in brine concentration resulted in improved adsorption of clay particles on the glass surface. Experiments involving heat treating the glass surface following the coating demonstrated significant improvement in the stability of the coating.

02 PETROLEUM↗

DOE OSTI2023

Physicochemical characterization of free troposphere and marine boundary layer ice-nucleating particles collected by aircraft in the eastern North Atlantic

Abstract. Atmospheric ice nucleation impacts the hydrological cycle and climate by modifying the radiative properties of clouds. To improve our predictive understanding of ice formation, ambient ice-nucleating particles (INPs) need to be collected and characterized. Measurements of INPs at lower latitudes in a remote marine region are scarce. The Aerosol and Cloud Experiments in the Eastern North Atlantic (ACE-ENA) campaign, in the region of the Azores islands, provided the opportunity to collect particles in the marine boundary layer (MBL) and free troposphere (FT) by aircraft during the campaign's summer and winter intensive operation period. The particle population in samples collected was examined by scanning transmission X-ray microscopy with near-edge X-ray absorption fine structure spectroscopy. The identified INPs were analyzed by scanning electron microscopy with energy-dispersive X-ray analysis. We observed differences in the particle population characteristics in terms of particle diversity, mixing state, and organic volume fraction between seasons, mostly due to dry intrusion events during winter, as well as between the sampling locations of the MBL and FT. These differences are also reflected in the temperature and humidity conditions under which water uptake, immersion freezing (IMF), and deposition ice nucleation (DIN) proceed. Identified INPs reflect typical particle types within the particle population on the samples and include sea salt, sea salt with sulfates, and mineral dust, all associated with organic matter, as well as carbonaceous particles. IMF and DIN kinetics are analyzed with respect to heterogeneous ice nucleation rate coefficients, Jhet, and ice nucleation active site density, ns, as a function of the water criterion Δaw. DIN is also analyzed in terms of contact angles following classical nucleation theory. Derived MBL IMF kinetics agree with previous ACE-ENA ground-site INP measurements. FT particle samples show greater ice nucleation propensity compared to MBL particle samples. This study emphasizes that the types of INPs can vary seasonally and with altitude depending on sampling location, thereby showing different ice nucleation propensities, which is crucial information when representing mixed-phase cloud and cirrus cloud microphysics in models.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Ontology-Enriched Specifications Enabling Findable, Accessible, Interoperable, and Reusable Marine Metagenomic Datasets in Cyberinfrastructure Systems

Marine microbial ecology requires the systematic comparison of biogeochemical and sequence data to analyze environmental influences on the distribution and variability of microbial communities. With ever-increasing quantities of metagenomic data, there is a growing need to make datasets Findable, Accessible, Interoperable, and Reusable (FAIR) across diverse ecosystems. FAIR data is essential to developing analytical frameworks that integrate microbiological, genomic, ecological, oceanographic, and computational methods. Although community standards defining the minimal metadata required to accompany sequence data exist, they haven’t been consistently used across projects, precluding interoperability. Moreover, these data are not machine-actionable or discoverable by cyberinfrastructure systems. By making ‘omic and physicochemical datasets FAIR to machine systems, we can enable sequence data discovery and reuse based on machine-readable descriptions of environments or physicochemical gradients. In this work, we developed a novel technical specification for dataset encapsulation for the FAIR reuse of marine metagenomic and physicochemical datasets within cyberinfrastructure systems. This includes using Frictionless Data Packages enriched with terminology from environmental and life-science ontologies to annotate measured variables, their units, and the measurement devices used. This approach was implemented in Planet Microbe, a cyberinfrastructure platform and marine metagenomic web-portal. Here, we discuss the data properties built into the specification to make global ocean datasets FAIR within the Planet Microbe portal. We additionally discuss the selection of, and contributions to marine-science ontologies used within the specification. Finally, we use the system to discover data by which to answer various biological questions about environments, physicochemical gradients, and microbial communities in meta-analyses. This work represents a future direction in marine metagenomic research by proposing a specification for FAIR dataset encapsulation that, if adopted within cyberinfrastructure systems, would automate the discovery, exchange, and re-use of data needed to answer broader reaching questions than originally intended.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Well–based monitoring of CO 2 geological sequestration operations in saline aquifers: Critical insights into key questions

Geological carbon sequestration in saline aquifers is one of the most promising strategies to help mitigate emissions of CO 2 to the atmosphere. Significant challenges in ensuring the security of the sequestration process rest in the evolution and expansion of the CO 2 plume in the subsurface. The ability to track the movement of the injected CO 2 poses another challenge. Critical questions related to the integrity of the sequestration operations in saline aquifers relate to plume characteristics that can we monitor using well-based variables. We addressed this and related questions using an integrated modeling framework through a numerical investigation of carbon sequestration in saline aquifers during long-term and post-injection periods. This modeling paradigm incorporates the effect of structural, geological, and petrophysical characteristics. That way, we can account for critical physicochemical processes, rock-fluid interactions, and lithology dependencies. The well fluid variables investigated include fluid composition, pH, fluid density, and ion activity. We learned that fluid property analytics and diagnostics can be powerful tools to estimate the movement of CO 2 and its storage in different trapping mechanisms. These analytics can help optimize operational aspects and simplify reservoir-scale models while still reflecting the complex nature of the CO 2 interactions underground and offering insights into plume evolution.

58 GEOSCIENCES↗

DOE OSTI2023

Integrated Multiscale Model for Design of Robust 3D Solid-state Lithium Batteries

In FY23, we successfully established the multiscale modeling framework for probing the effects of materials microstructure on cell performance of 3D solid-state batteries. The framework covers physicochemical processes co-evolving at the atomistic and microstructure scales. Our simulations revealed the mechanism of initial interfacial degradation, formation of secondary phases, and the structure-property relationship for ion transport and mechanical stability at the interface. In addition, we also established the microstructure-performance relationships by performing sensitivity tests of various microstructure features and extracting their impact on cell performance during charge-discharge cycles. We have successfully applied our multiscale, multiphysics modeling capability to common electrode and electrolyte materials that are of interests to VTO and the experimental teams within the US-Germany collaboration. The insights we obtained from these simulations provide valuable design principles to optimize materials properties for advanced 3D solid-state batteries.

25 ENERGY STORAGE↗

DOE OSTI2022

Functional Redundancy in Soil Microbial Community Based on Metagenomics Across the Globe

Understanding the contribution of soil microbial communities to ecosystem processes is critical for predicting terrestrial ecosystem feedbacks under changing climate. Our current understanding lacks a consistent strategy to formulate the linkage between microbial systems and ecosystem processes due to the presumption of functional redundancy in soil microbes. Here we present a global soil microbial metagenomic analysis to generalize patterns of microbial taxonomic compositions and functional potentials across climate and geochemical gradient. Our analyses show that soil microbial taxonomic composition varies widely in response to climate and soil physicochemical gradients, while microbial functional attributes based on metagenomic gene abundances are redundant. Among 17 climate zones, microbial taxonomic compositions were more distinct than functional potentials, as climate and edaphic properties showed more significant influence on microbial taxonomic compositions than on functional potentials. Microbial taxonomies formed a larger and more complex co-occurrence network with more module structures than functional potentials. Functional network was strongly inter-connected among different categories, whereas taxonomic network was more positively interactive in the same taxonomic groups. This study provides strong evidence to support the hypothesis of functional redundancy in soil microbes, as microbial taxonomic compositions vary to a larger extent than functional potentials based on metagenomic gene abundances in terrestrial ecosystems across the globe.

59 BASIC BIOLOGICAL SCIENCES↗