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DOE OSTI2021

Earliest Traces of Life as a Window on Life's Origins

Life is the outcome of a complex network of chemical reactions and mo-lecular interactions that emerged on Earth once primitive chemical automata could self-assemble in such a way that enabled them to self-reproduce and evolve. Yet exactly how, where and when life first appeared on our planet remains unknown. Various lines of evidence from fossilized traces of early life preserved in the geological record provide fundamental, albeit often rudimentary, insight into early life. The oldest fossils record the nature of life more than half a billion years after it emerged on Earth and suggest that considerable metabolic diversity had already evolved by this time. Microfossils, microbial mats, stromatolites and organic and inorganic geochemical signatures have been interpreted as compelling evidence for Archean biodiversity. In spite of the chemical enigmas of the earliest life and its limited record, characterization of the various classes of biosignatures indicative of life in its geological context provides guidance as to the earliest co-evolution of the geosphere and biosphere.

Cavalazzi, Barbara↗

DOE OSTI2021

Origin of Life on Mars: Suitability and Opportunities

Although the habitability of early Mars is now well established, its suitability for conditions favorable to an independent origin of life (OoL) has been less certain. With continued exploration, evidence has mounted for a widespread diversity of physical and chemical conditions on Mars that mimic those variously hypothesized as settings in which life first arose on Earth. Mars has also provided water, energy sources, CHNOPS elements, critical catalytic transition metal elements, as well as B, Mg, Ca, Na and K, all of which are elements associated with life as we know it. With its highly favorable sulfur abundance and land/ocean ratio, early wet Mars remains a prime candidate for its own OoL, in many respects superior to Earth. The relatively well-preserved ancient surface of planet Mars helps inform the range of possible analogous conditions during the now-obliterated history of early Earth. Continued exploration of Mars also contributes to the understanding of the opportunities for settings enabling an OoL on exoplanets. Favoring geochemical sediment samples for eventual return to Earth will enhance assessments of the likelihood of a Martian OoL.

transition elements↗

DOE OSTI2022

Isotope effects at the origin of life: Fingerprints of the Strecker synthesis

We report strecker synthesis creates α-amino acids from prebiotically plausible substrates (cyanide, ammonia, and aldehydes) and is widely hypothesized to be a key mechanism in the chemistry that led to life on Earth and on other planets. To better constrain the synthetic environments and precursors of abiotic α-amino acids, and to determine unique signatures of abiogenic amino acids, we measured the molecular-averaged and site-specific carbon and nitrogen isotope effects for the Strecker synthesis of alanine. The reaction steps of the Strecker synthesis can be divided into two groups: an initial series of reversible amination and nitrile-addition reactions (‘equilibration’) and a second series of irreversible hydrolysis reactions (‘hydrolysis’). The equilibration of cyanide, acetaldehyde, and ammonia with the intermediate, α-aminopropionitrile (α-APN), has a measured 55.1‰ equilibrium nitrogen isotope effect between the 15 N-rich amine nitrogen in α-aminopropionitrile and the 15 N-poor ammonia and a 20.0‰ equilibrium carbon isotope effect between the 13 C-poor C-2 site in α-aminopropionitrile and the 13 C-rich carbonyl carbon in acetaldehyde. The first irreversible hydrolysis step is inferred to have an up to 10‰ normal carbon fractionation (i.e., faster for 12 C, slower for 13 C) for the whole molecule, but it also has one or more side reactions that deplete the reactive α-APN reservoir by up to 15‰. The second hydrolysis step has a 15.4‰ normal kinetic isotope effect on the amide (C-1) site of alaninamide, which becomes the carboxyl site of alanine. Other α-amino acids will likely experience similar nitrogen isotope fractionations between ammonia and their amine sites, and similar carbon isotope fractionations between the carbonyl carbon in reactant aldehydes or ketones and the intermediate α-aminonitrile, and between cyanide and the carboxyl site. Therefore, these isotope effects allow us to predict the carbon and nitrogen isotopic contents and intramolecular structures of α-amino acids formed by Strecker synthesis based on their substrates’ isotopic compositions, or to infer the isotopic compositions of substrates from which amino acids formed, for example in the case of the amino-acid-rich carbonaceous chondrites. The site-specific C and N isotopic compositions of amino acids formed by Strecker chemistry contrast with those typical of terrestrial biosynthetic amino acids, so these data also provide a means of discriminating between biogenic and abiogenic α-amino acids.

58 GEOSCIENCES↗

DOE OSTI2025

On the role of α-alumina in the origin of life: Surface-driven assembly of amino acids

We investigate the hypothesis that mineral/water interfaces played a crucial catalytic role in peptide formation by promoting the self-assembly of amino acids. Using classical molecular dynamics simulations, we demonstrate that the α-alumina(0001) surface exhibits an affinity of 4k B Tfor individual glycine or GG dipeptide molecules due to hydrogen bonds. In simulations with multiple glycine molecules, surface-bound glycine enhances further adsorption, leading to the formation of long chains connected by hydrogen bonds between the carboxyl and amine groups of glycine molecules. We find that the likelihood of observing chains longer than 10 glycine units increases by at least five orders of magnitude at the surface compared to the bulk. This surface-driven assembly is primarily due to local high density and alignment with the alumina surface pattern. Together, these results propose a model for how mineral surfaces can induce configuration-specific assembly of amino acids, thereby promoting condensation reactions.

Science & Technology - Other Topics↗

DOE OSTI2023

Otolith 87 Sr / 86 Sr identifies natal origin, movement and life history of Burbot Lota lota in the Kootenai River following 45 years of impoundment

Abstract Hydropower has long been an effective form of renewable energy, but the development of the resource has negatively impacted fishes throughout the world. Formulating recovery plans to mitigate these effects requires a firm understanding of species‐specific provenance, life history and life stage habitat requirements. However, the importance of this information is often only recognised after a substantial population decline, when obtaining it becomes demographically challenging. We provide a case study for this scenario and present a post hoc approach to gain insight into these critical data gaps for Burbot Lota lota in the upper Kootenai River in Montana and British Columbia. The population once supported a robust tribal and recreational harvest but declined following impoundment and these fisheries have remained closed or curtailed for nearly 20 years. The reasons for the decline are unknown and actions to assist recovery have been constrained by limited information regarding natal origin, life history and habitat use. We addressed this issue using strontium isotope ratios ( 87 Sr/ 86 Sr) in otoliths collected over four decades in Lake Koocanusa, the reservoir on the Kootenai River above Libby Dam. Due to the geologic heterogeneity of the basin and resulting variation in water 87 Sr/ 86 Sr, the assignment probability for Burbot to their region of natal origin approached unity. Otolith 87 Sr/ 86 Sr also indicated the population was comprised of mainstem‐ and tributary‐origin forms and their relative abundance changed over time. Mainstem Burbot was most abundant during the 1970s and 2000s, whereas tributary forms dominated between these periods. We suggest ecosystem changes following impoundment contributed to this shift in life history forms and the overall decline of the population. Our findings underscore the need for additional investigations of these impacts to guide restoration efforts.

Dunnigan, James L.↗

DOE OSTI2021

Probing the Capability of Future Direct-imaging Missions to Spectrally Constrain the Frequency of Earth-like Planets

A critical question in astrobiology is whether exo-Earth candidates (EECs) are Earth-like, in that they originate life that progressively oxygenates their atmospheres similarly to Earth. We propose answering this question statistically by searching for O{sub 2} and O{sub 3} on EECs with missions such as HabEx or LUVOIR. We explore the ability of these missions to constrain the fraction, f {sub E}, of EECs that are Earth-like in the event of a null detection of O{sub 2} or O{sub 3} on all observed EECs. We use the Planetary Spectrum Generator to simulate observations of EECs with O{sub 2} and O{sub 3} levels based on Earth’s history. We consider four instrument designs—LUVOIR-A (15 m), LUVOIR-B (8 m), HabEx with a starshade (4 m, “HabEx/SS”), and HabEx without a starshade (4 m, “HabEx/no-SS”)—as well as three estimates of the occurrence rate of EECs (η {sub earth}): 24%, 5%, and 0.5%. In the case of a null detection, we find that for η {sub earth} = 24%, LUVOIR-A, LUVOIR-B, and HabEx/SS would constrain f {sub E} to ≤0.094, ≤0.18, and ≤0.56, respectively. This also indicates that if f {sub E} is greater than these upper limits, we are likely to detect O{sub 3} on at least one EEC. Conversely, we find that HabEx/no-SS cannot constrain f {sub E}, due to the lack of a coronagraph ultraviolet channel. For η {sub earth} = 5%, only LUVOIR-A and LUVOIR-B would be able to constrain f {sub E}, to ≤0.45 and ≤0.85, respectively. For η {sub earth} = 0.5%, none of the missions would allow us to constrain f {sub E}, due to the low number of detectable EECs. We conclude that the ability to constrain f {sub E} is more robust to uncertainties in η {sub earth} for missions with larger aperture mirrors. However, all missions are susceptible to an inconclusive null detection if η {sub earth} is sufficiently low.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2025

Formation of Organic Compounds Through Meteoritic Atmospheric Shock

This document is a Final Technical Report for DoE award DE-SC0023375 “Formation of Organic Compounds Through Meteoritic Atmospheric Shock”. The document includes a summary of topics studied, specific tasks completed, challenges, and results from the project. The main goal of this project was to investigate the production of organic molecules and/or complex inorganic precursor molecules in a plasma environment reminiscent of the environment surrounding meteoroids during atmospheric entries. The specific hypothesis tested in this project was that meteoroid ablation during the entry and the chemical reactions in the meteoroid plasma tail could have produced significant amounts of organics or precursor inorganics in the Early Earth’s atmosphere. Investigation of these processes is essential in understanding the origins of life on Earth and the search for life beyond our planet. This project was focused on a set of experiments conducted at the Utilizing the DIII-D tokamak in San Diego, CA. The experiments aimed to study the interaction of carbonaceous and silica materials (typically found in meteoroids) with mixtures of hot plasma gases (mimicking atmospheric entry conditions. The material samples and gas mixtures were selected to investigate the synthesis of the organic compound urea – a key ingredient in the origin of life – or one of its precursor, the complex inorganic compound ammonia.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2026

A Panspermia Origin for Venus Cloud Life

Decades of study have hinted at the astrobiological potential of Venus's cloud layers. This potential is often cast as stemming from the idea that the Venusian surface was clement in the past. As the climate changed, life then remained in, or perhaps evolved and migrated to, the last habitable niche: the altitudes above ∼50 km with Earth-like temperatures and pressures today. Here we explore an alternative scenario where life was delivered to Venus' clouds from Earth or Mars (“panspermia”). This process requires a life-containing bolide to enter the atmosphere, without experiencing complete sterilization, and then be dispersed at high altitude in fragments small enough to dwell in the clouds. We adapt a widely used model of bolide-atmosphere interaction to investigate the fate of bolides delivered to Venus from Earth and Mars. Starting at the top of the atmosphere, bolides ablate and fragment. Aerodynamic drag spreads these fragments horizontally, forming a “pancake” with an increased effective cross-section, causing rapid deceleration. An airburst occurs when the bolide deposits its highest amount of kinetic energy in the atmosphere. Observations of terrestrial meteorites provide a scaling law for the distribution of post-airburst fragment sizes. Inspired by the “Venus Life Equation,” we present a framework for calculating the rate at which panspermia delivers microbial life to the clouds of Venus. Our best estimate is an average of ∼100 cells dispersed in the clouds per Earth-year. Whether this life can survive and thrive in its new home remains an open question.

Guinan, Emma [Arizona State Univ., Tempe, AZ (Unit↗

DOE OSTI2020

Plausibility of the Formose Reaction in Alkaline Hydrothermal Vent Environments

Prebiotic processes required a reliable source of free energy and complex chemical mixtures that may have included sugars. The formose reaction is a potential source of those sugars. At moderate to elevated temperature and pH ranges, these sugars rapidly decay. Here it is shown that CaCO 3 -based chemical gardens catalyze the formose reaction to produce glucose, ribose, and other monosaccharides. These thin inorganic membranes are explored as analogs of hydrothermal vent materials—a possible place for the origin of life—and similarly exposed to very steep pH gradients. Supported by simulations of a simple reaction-diffusion model, this study shows that such gradients allow for the dynamic accumulation of sugars in specific layers of the thin membrane, effectively protecting formose sugar yields. Furthermore, the formose reaction may be a plausible prebiotic reaction in alkaline hydrothermal vent environments, possibly setting the stage for an RNA world.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Synchrotron X‐Ray‐Driven Nitrogen Reduction on an AgCu Thin Film

Abstract Nitrogen (N 2 ) is an essential element for life, but kinetically stable N 2 in the atmosphere needs to be reduced to biologically available forms as a nutrient for organisms. Abiotic nitrogen fixation is critical to the origin of life on the early Earth, which is due to lightning or mineral‐based reduction. Here, synchrotron X‐ray‐induced silver nitrate formation on a silver copper (AgCu) thin‐film is reported. Time‐resolved X‐ray diffraction measurements show that under intense X‐ray exposure, initially formed silver oxides (AgOx) are quickly converted to silver nitrate (AgNO 3 ). Interestingly, AgNO 3 is first formed in its high‐temperature phase with a space group of R3cH , which gradually transforms to the room temperature phase with a space group of Pbca under continuous X‐ray irradiation. The result not only provides a new clue about the abiotic nitrogen reduction prior to life but also demonstrates a novel strategy of materials synthesis using synchrotron X‐rays.

Hui, Jian↗

DOE OSTI2020

A Hybrid AI/ML and Computational Mechanics Based Approach for Time-Series State and Fatigue Life Estimation of Nuclear Reactor Components

Environmental fatigue modeling is a complex problem due to multiple failure modes and their intermixing. The failure modes are function of various underlying causes in addition to the corrosive effect of reactor coolant environment. Some of the major causes are time-dependence of material associated with cyclic loading, load sequence effect associated with random/variable amplitude loading, effect of strain amplitude and rates, effect of varying temperature (along both temporal and spatial directions) and the effect of mean strain and stress. The nonlinear intermixing of failure modes associated with above mentioned causing parameters makes the environmental fatigue modeling is a challenging task. Because of this challenge, fatigue is traditionally being modeled based on experimental data. However, test based empirical approach often requires hundreds of fatigue tests to model the above-mentioned intermixing failure causes even for a single material system. The problem is further exaggerated for reactor component made from multi-material systems such as made from both carbon and stainless-steel base metals and their similar and dissimilar metal welds. With the difficulty of conducting hundreds of fatigue tests to capture the above-mentioned intermixing failure causes, fatigue modeling approaches often depends on empirical models based on limited available test data such as available through ASME code and NUREG 6909. However, these limited test-data-based models may not be enough to accurately predict the life of reactor components. Accurate prediction of life of reactor component would become a necessity, particularly when the license of the reactors to be extended for long-term-operation (LTO) that is for well beyond its original design life of 40 years. The requirement of extending the license of reactor under LTO requires hundreds of fatigue tests to be conducted to understand the mechanism associated with the above-mentioned interdependent failure causes. However, conducting large number of fatigue tests is not a feasibility due to the cost involved. To address this issues Argonne National Laboratory (ANL) with the sponsorship of DOE Light Water Reactor Sustainability (LWRS) program trying to develop a hybrid predictive modeling approach. This is based on limited experiment-data, Artificial-intelligence (AI) – Machine-Learning (ML) - Deep-Learning (DL) based techniques and Multiphysics-computational-mechanics based modeling tools. The hybrid approach not-only can improve the accuracy of the existing stress analysis and fatigue modeling approach but also can reduce the over-dependency on test-based approach. Towards this goal following are some of the major contributions based on ANL’s FY-20 environmental fatigue modeling activities: 1) A cyclic plasticity material model database for 82/182 dissimilar metal weld, which can be readily shared with US nuclear industry and regulatory agency on request. 2) A well validated analytical modeling methodology to perform cycle-by-cycle stress prediction under both constant amplitude fatigue loading and variable amplitude fatigue loading (with load-sequence effect). 3) An AI/ML/DL based methodology to predict unmeasurable cyclic strain based on other available sensor signals. This type of approach can be used for estimating strain in real reactor components from other sensor readings. 4) An AI/ML based approach to improve the US capability on environmental fatigue testing. This is by improving ANL’s existing environmental fatigue testing capacity to conduct ASME required strain-controlled tests (by controlling strain amplitudes and its rate), while not measuring the strain (due to the difficulty of placing an extensometer in a narrow autoclave in a PWR-water-test system). 5) A simulation and experiment based probabilistic modeling methodology for time-series fatigue state and life estimation of reactor metal such as dissimilar metal weld.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2026

Spectral Flux Measurements on SNS Direct Geometry Spectrometers at IRP-2 End-of-Life

The Inner Reflector Plug (IRP) of the Spallation Neutron Source (SNS) was replaced during the SNS shutdown period beginning 25 November 2025. This IRP, IRP-2, was first placed in service in May 2018, and was in use for 42.5 GW-hrs of operation, somewhat longer than its original design life of 30 GW-hrs, or even a refined estimate of 33 GW-hrs for the water moderator poison plate and 39 GW-hrs on the decoupled-poisoned hydrogen moderator decoupler (Gallmeier, Lu, and Iverson 2018). The time-integrated power history for IRP-2 is tracked in Figure 1.

43 PARTICLE ACCELERATORS↗

DOE OSTI2021

Evaluating Offshore Infrastructure Integrity

Drilling in the offshore environment involves a complex network of infrastructure including pipelines, platforms, rigs, subsea installations, ports, and terminals. Government and industry partners have developed this network over many decades and it remains a critical part of the United States (U.S.) energy portfolio. Many of the major components of this system have been designed with a 20- to 30-year lifespan, yet consistent and growing energy demands support the need to extend the design life of existing infrastructure or repurpose it for secondary needs (i.e. enhanced oil recovery, carbon storage, and new wells). As a result, a growing portion of the offshore infrastructure in the U.S. is approaching or has exceeded its original design life. A critical step in ensuring the continued safe and effective operation of offshore infrastructure is developing a comprehensive understanding of the state of offshore infrastructure and the factors that effect it. The purpose of this project is to assess the current state of existing infrastructure and identify the factors involved in infrastructure degradation through the development and application of big data analytics, machine learning, and advanced spatio-temporal analysis. The project leverages existing data at NETL and combines it with new information on offshore oil and gas structures and the ambient offshore environment in an effort to identify patterns associated with infrastructure integrity. Building on the identified trends and patterns, this project incorporates exploratory analytics and spatial analysis tools in conjunction with machine learning and statistical models to characterize the condition of existing platforms in the offshore environment and predict their risk of failure.

02 PETROLEUM↗

DOE OSTI2020

The Messy Alkaline Formose Reaction and Its Link to Metabolism

Sugars are essential for the formation of genetic elements such as RNA and as an energy/food source. Thus, the formose reaction, which autocatalytically generates a multitude of sugars from formaldehyde, has been viewed as a potentially important prebiotic source of biomolecules at the origins of life. When analyzing our formose solutions we find that many of the chemical species are simple carboxylic acids, including α-hydroxy acids, associated with metabolism. In this work we posit that the study of the formose reaction, under alkaline conditions and moderate hydrothermal temperatures, should not be solely focused on sugars for genetic materials, but should focus on the origins of metabolism (via metabolic molecules) as well.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Wind Turbine Drivetrain Reliability [Slides]

Pitch bearings, main bearings, and gearboxes in conventional wind turbine drivetrains often do not meet their 20-year minimum specified lifetime, resulting in turbine downtime as well as expensive, time-consuming repairs or replacements. The dominant failure modes of the drivetrain components and the conditions that lead to their failure are not fully accounted for during product design or routinely modeled for life management. Drivetrain reliability improvements and O&M cost reductions remain top priorities for both land-based and offshore wind turbines, especially as wind turbines continue to be deployed in increasingly remote and offshore locations, continue to increase in size, and are becoming expected to be in service beyond their original design life, all of which correspond to an increase in the impact of any reliability issues on O&M costs. This presentation summarizes the most recent activities by NREL and ANL on drivetrain reliability.

17 WIND ENERGY↗

DOE OSTI2022

Drivetrain Reliability Collaborative Update

bearing↗

DOE OSTI2020

Vitality models found useful in modeling tag-failure times in acoustic-tag survival studies

Abstract Acoustic telemetry studies often rely on the assumption that premature tag failure does not affect the validity of inferences. However, in some cases this assumption is possibly or likely invalid and it is necessary to apply a correction to estimation procedures. The question of which approaches and specific models are best suited to modeling acoustic tag failures has received little research attention. In this short communication, we present a meta-analysis of 42 acoustic tag-life studies, originally used to correct survival studies involving outmigrating juvenile salmonids in the Columbia/Snake river basin. We compare the performance of nine alternative parametric models including common failure–time/survival models and the vitality models of Li and Anderson Theor Popul Biol 76:118–131, (2009) and Demogr Res 28:341–372, (2013). The tag-life studies used acoustic tags from three different tag manufacturers, had expected lifetimes between 12 and 61 days, and had dry weights ranging from 0.22 to 1.65 g. In 57% of the cases, the vitality models of Li and Anderson Theor Popul Biol 76:118–131, (2009) and Demogr Res 28:341–372, (2013) fit the tag-failure times best. The vitality models were also the second-best choices in 17% of the cases. Together, the vitality models, log-logistic, (19%), and gamma models (14%) accounted for 90% of the models selected. Unlike more traditional failure–time models (e.g., Weibull, Gompertz, gamma, and log-logistic), the vitality models are capable of characterizing both the early onset of tag failure due to manufacturing errors and the anticipated battery life. We provide further guidance on appropriate sample sizes (50–100 tags) and procedures to be considered when applying precise tag-life corrections in release–recapture survival studies.

Skalski, John R. (ORCID:0000000270702505)↗

DOE OSTI2020

Structure of the respiratory MBS complex reveals iron-sulfur cluster catalyzed sulfane sulfur reduction in ancient life

Abstract Modern day aerobic respiration in mitochondria involving complex I converts redox energy into chemical energy and likely evolved from a simple anaerobic system now represented by hydrogen gas-evolving hydrogenase (MBH) where protons are the terminal electron acceptor. Here we present the cryo-EM structure of an early ancestor in the evolution of complex I, the elemental sulfur (S 0 )-reducing reductase MBS. Three highly conserved protein loops linking cytoplasmic and membrane domains enable scalable energy conversion in all three complexes. MBS contains two proton pumps compared to one in MBH and likely conserves twice the energy. The structure also reveals evolutionary adaptations of MBH that enabled S 0 reduction by MBS catalyzed by a site-differentiated iron-sulfur cluster without participation of protons or amino acid residues. This is the simplest mechanism proposed for reduction of inorganic or organic disulfides. It is of fundamental significance in the iron and sulfur-rich volcanic environments of early earth and possibly the origin of life. MBS provides a new perspective on the evolution of modern-day respiratory complexes and of catalysis by biological iron-sulfur clusters.

59 BASIC BIOLOGICAL SCIENCES↗