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Rebuilding the Habitable Zone from the Bottom Up

The idea of habitability has been useful for categorizing places where life might exist in the universe. Circumstellar habitable zones estimate whether rocky planets might harbor liquid surface water, geophysical and tidal habitable zones gauge places like icy moons. Combined with biological constraints of energy and element availability, habitability can be key for eliminating false positive biosignatures. But is there a more fundamental and complete way to talk about all of this? I’ll share a proposal for a concept of “computational zones” that digs deep into the fundamentals of what we think we know about life, and its relationship to matter, energy, and thermodynamics. With some simple examples I’ll also show how we can apply this to real (and imagined) questions, and what it suggests for the kinds of measurements and missions that could have the greatest astrobiological impact.

icy moons↗

DOE OSTI2015

Hydrological partitioning in the critical zone: Recent advances and opportunities for developing transferable understanding of water cycle dynamics

Here, hydrology is an integrative discipline linking the broad array of water–related research with physical, ecological, and social sciences. The increasing breadth of hydrological research, often where subdisciplines of hydrology partner with related sciences, reflects the central importance of water to environmental science, while highlighting the fractured nature of the discipline itself. This lack of coordination among hydrologic subdisciplines has hindered the development of hydrologic theory and integrated models capable of predicting hydrologic partitioning across time and space. The recent development of the concept of the critical zone (CZ), an open system extending from the top of the canopy to the base of groundwater, brings together multiple hydrological subdisciplines with related physical and ecological sciences. Observations obtained by CZ researchers provide a diverse range of complementary process and structural data to evaluate both conceptual and numerical models. Consequently, a cross–site focus on “critical zone hydrology” has potential to advance the discipline of hydrology and to facilitate the transition of CZ observatories into a research network with immediate societal relevance. Here we review recent work in catchment hydrology and hydrochemistry, hydrogeology, and ecohydrology that highlights a common knowledge gap in how precipitation is partitioned in the critical zone: “how is the amount, routing, and residence time of water in the subsurface related to the biogeophysical structure of the CZ?” Addressing this question will require coordination among hydrologic subdisciplines and interfacing sciences, and catalyze rapid progress in understanding current CZ structure and predicting how climate and land cover changes will affect hydrologic partitioning.

58 GEOSCIENCES↗

DOE OSTI2021

High-pressure crystal structure and equation of state of ferromagnesian jeffbenite: implications for stability in the transition zone and uppermost lower mantle

Jeffbenite, ideally Mg 3 Al 2 Si 3 O 12 , has been identified as inclusions in super-deep diamonds originating from depths that exceed 300 km. Although Mg-end member jeffbenite has limited stability at upper-mantle conditions, iron-bearing jeffbenite may have broader P–T stability that extends to the transition zone or uppermost lower mantle, incorporating significant amounts of ferric iron. Using synchrotron-based, single-crystal X-ray diffraction (XRD) and synchrotron Mössbauer spectroscopy (SMS) at pressures up to 29 GPa, we report the crystal structure, compressibility, and likely spin transition of iron in ferromagnesian jeffbenite (Mg 2.32 Al 0.03 Fe 2+ 1.28 Fe 3+ 1.77 Si 2.85 O 12 ). High-pressure structure refinements reveal that Fe 3+ substitution for Si in the T2 site, which shares edges with the M2 octahedron, likely stabilizes jeffbenite at high pressure, because it increases the cation-to-cation distance between these sites. Although ferromagnesian jeffbenite does not undergo a structural phase transition below 30 GPa, SMS hyperfine parameters suggest the onset of an electronic spin transition of iron from high-spin (HS) to low-spin (LS) at around 22 GPa, which may increase its stability at high pressures. Pressure–volume data were fit to a third order Birch–Murnaghan equation of state, resulting in V o = 816.54(9), K To = 181.54(1.39), and K' T0 = 2.76(14). These equation of state parameters are applicable to evaluating the encapsulation pressures of super-deep diamonds. The density and bulk modulus of ferromagnesian jeffbenite are similar to or higher than pyrope–almandine, pyrope–majorite, and skiagite–majorite solid solution garnets, further suggesting that jeffbenite may be an important ferric–iron silicate in the deeper parts of the mantle transition zone and uppermost lower mantle. Furthermore, future studies on the influence of temperature and oxidation state on the stability and equations of state of iron-bearing jeffbennite are still needed to determine what role, if any, jeffbenite plays in transition-zone mineralogy.

58 GEOSCIENCES↗

DOE OSTI2019

Axial Tensile Failure Analysis of SiC{sub f}/Ti Composite Based on Continuum Cohesive Zone Model

In this paper, the failure behavior of SiC fiber-reinforced Ti-6Al-4V matrix composite (SiC{sub f}/Ti) under longitudinal loads was studied experimentally and theoretically. Experimental results show that the interface of SiC{sub f}/Ti composite is continuous and integral. Through SEM observations, it was found that transverse matrix cracks initiated from the debonding region of the interface. A three-dimensional representative volume element was developed to simulate the failure process of SiC{sub f}/Ti-6Al-4V composite. A continuum cohesive zone model is employed to describe the debonding behavior at the interface, compared with a discrete one. More accurate simulated results were obtained by a continuum cohesive zone model, corresponding to experimental results. The transverse cracking behavior of the matrix was simulated. The stress–strain curves predicted by the continuum cohesive zone model show a good agreement with the experimental results. The fiber volume fraction, interface strength and interface toughness are investigated to exhibit their influences upon the longitudinal mechanical characteristics of SiC{sub f}/Ti-6Al-4V composite.

36 MATERIALS SCIENCE↗

DOE OSTI2025

A cohesive zone treatment for the material point method involving problems of large deformation and damage

A new algorithm is described that permits the use of cohesive zones in the material point method for problems involving large deformation and fracture. In contrast to previous cohesive zone implementations, this method does not utilize massless surface-element particles. Instead, cohesive tractions are computed using the shape function mappings from a reference grid configuration in combination with explicitly defined particle surface normals and surface positions. These normals and relative surface positions are updated each time step according to particle deformation. The tractions are converted to cohesive forces using the nodal areas and mapped back to particles using the same reference shape function mappings. These forces are then remapped by conventional particle-to-grid interpolation as external forces using the current-configuration shape-function mappings. This allows highly compliant cohesive zones to function over jump displacements larger than a grid cell. Upon damage, these interfaces can revert to conventional multi-field contact surfaces. This approach is general and readily applies to two and three dimensions as well as being compatible with damage-field gradient partitioning offering exceptional computational flexibility. The framework for this method enables other capabilities, such as improved contact precision using explicitly defined surface normals and positions, and a method to mitigate spurious material damage at weak discontinuities between stiff brittle materials and soft or compliant materials.

Cohesive zone↗

DOE OSTI2019

An inverse approach to solving zone air infiltration rate and people count using indoor environmental sensor data

Physics-based simulation of energy use in buildings is typically widely used in building design and performance rating, controls design and operations. However, various challenges exist in the modeling process. Model parameters such as people count and air infiltration rate are usually highly uncertain, yet they have significant impacts on the simulation accuracy. With the increasing availability and affordability of sensors and meters in buildings, a large amount of measured data has been collected including indoor environmental parameters, such as room air dry-bulb temperature, humidity ratio, and CO 2 concentration levels. Fusing these sensor data with traditional energy modeling poses new opportunities to improve simulation accuracy. This study develops a set of physics-based inverse algorithms which can solve the highly uncertain and hard-to-measure building parameters such as zone-level people count and air infiltration rate. A simulation-based case study is conducted to verify the inverse algorithms implemented in EnergyPlus covering various sensor measurement scenarios and different modeling use cases. The developed inverse models can solve the zone people count and air infiltration at sub-hourly resolution using the measured zone air temperature, humidity and/or CO 2 concentration given other easy-to-measure model parameters are known.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2024

Bayesian calibration and uncertainty quantification of a rate-dependent cohesive zone model for polymer interfaces

In this work we present a rate-dependent cohesive zone model for the fracture of polymeric interfaces and performs a Bayesian calibration, an uncertainty quantification, and a sensitivity analysis for the model. The proposed cohesive zone model accounts for both reversible elastic and irreversible rate-dependent separation sliding deformation at the interface. The viscous dissipation due to the irreversible opening at the interface is modeled using elastic-viscoplastic kinematics that incorporates the effects of strain rate. Inverse calibration of parameters for such complex models through trial and error is challenging due to the large number of parameters of the model. Moreover, the calibrated parameter values are often non-unique and uncertain when the available experimental data is limited. To tackle this challenge, we employ a Bayesian calibration approach to identify parameters from experimental data, the resulting parameters significantly enhance the accuracy of the model. To quantify the uncertainty associated with the inverse parameter estimation, a modular Bayesian approach is employed to calibrate the unknown model parameters, accounting for the parameter uncertainty of the cohesive zone model. The advantages of the Bayesian calibration over a deterministic parameter fit are demonstrated. Further, to quantify the model uncertainties, such as incorrect assumptions or missing physics, a discrepancy function is introduced, which significantly improves the model’s prediction. Finally, the total uncertainty of the model is quantified in a predictive setting. A sensitivity analysis is performed to assess how changes in the input variables of the model affect the peak load, facilitating the identification of a concise set of highly influential parameters. The present approach can be used for calibration and uncertainty quantification for other complex computational mechanics models. It should also facilitate the designing of interface materials under uncertainty.

42 ENGINEERING↗

DOE OSTI2020

HIMU geochemical signature originating from the transition zone

Plume volcanism may sample mantle sources deeper than mid-ocean ridge and arc volcanism. Ocean island basalts (OIBs) are commonly related to plume volcanism, and their diverse isotopic and elemental compositions can be described using a limited number of mantle endmembers. However, the origins and depths of these mantle endmembers are highly debated. Here we show that the HIMU (high μ, μ = 238 U/ 204 Pb) endmember may reside in the transition zone. Specifically, we report the geochemical signature of a high-pressure multiphase diamond inclusion, entrapped at 420–440 km depth and 1450 ±50 K, which matches exactly the geochemical patterns of the HIMU-rich OIBs. Since the HIMU component is variably sampled by almost all OIBs, our finding implies that the transition zone causes a major overprint of the geochemical features of mantle plumes. Furthermore, some mantle plumes, like those feeding Bermuda, St Helena, Tubuai and Mangaia, appear to be dominated by this source. Furthermore, our finding highlights the importance of the transition zone in highly incompatible element budget of the mantle.

58 GEOSCIENCES↗

DOE OSTI2017

Single crystal growth of 67%BiFeO 3 -33%BaTiO 3 solution by the floating zone method

Here, the growth conditions and the resultant grain morphologies and phase purities from floating-zone growth of 67%BiFeO 3 -33%BaTiO 3 (BF-33BT) single crystals are reported. We find two formidable challenges for the growth. First, a low-melting point constituent leads to a pre-melt zone in the feed-rod that adversely affects growth stability. Second, constitutional super-cooling (CSC), which was found to lead to dendritic and columnar features in the grain morphology, necessitates slow traveling rates during growth. Both challenges were addressed by modifications to the floating-zone furnace that steepened the temperature gradient at the melt-solid interfaces. Slow growth was also required to counter the effects of CSC. Single crystals with typical dimensions of hundreds of microns have been obtained which possess high quality and are suitable for detailed structural studies.

36 MATERIALS SCIENCE↗

DOE OSTI2022

The root-zone soil moisture spectrum in a mediterranean ecosystem

Storage of water within soil pores of the root zone introduce memory effects in the dynamics of soil moisture that are considerably longer than the integral timescale of many atmospheric processes. Thus, hydro-climatic states can be “sustained” through land-surface heat and water vapor fluxes primarily because they can “feed off” on this long-term soil moisture memory. Root-zone soil moisture memory is only but one feature characterizing the spectrum of soil moisture dynamics, which is analyzed here using a combination of long-term measurements and models. In particular, the spectrum of root-zone soil moisture content in a Mediterranean ecosystem is examined using 14-years of half-hourly measurements. A distinguishing hydro-climatic feature in such ecosystems is that sources (mainly rainfall) and sinks (mainly evapotranspiration) of soil moisture are roughly out of phase with each other. For over 4 decades of time scales and 7 decades of energy, the canonical shape of the measured soil moisture spectrum is shown to be approximately Lorentzian determined by the soil moisture variance and its memory but with two exceptions: the occurrences of a peak at diurnal-to-daily time scales and a weaker peak at near annual time scales. Model calculations and spectral analysis demonstrate that diurnal and seasonal variations in hydroclimate forcing responsible for variability in evapotranspiration had minor impact on the normalized shape of the soil moisture spectrum. However, their impact was captured by adjustments in the temporal variance. These findings indicate that precipitation and not evapotranspiration variability dominates the multi-scaling properties of soil moisture variability consistent with prior climate model simulations. Furthermore, the soil moisture memory inferred by the annual peak of soil moisture (340 d) is consistent with climate model simulations, while the memory evaluated from the loss function of a linearized mass balance approach leads to a smaller value (50 d), highlighting the effect of weak non-stationarity on soil moisture variability.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2013

Corrosion behavior in high heat input welded heat-affected zone of Ni-free high-nitrogen Fe–18Cr–10Mn–N austenitic stainless steel

The pitting corrosion and interphase corrosion behaviors in high heat input welded heat-affected zone (HAZ) of a metastable high-nitrogen Fe–18Cr–10Mn–N austenitic stainless steel were explored through electrochemical tests. The HAZs were simulated using Gleeble simulator with high heat input welding condition of 300 kJ/cm and the peak temperature of the HAZs was changed from 1200 °C to 1350 °C, aiming to examine the effect of δ-ferrite formation on corrosion behavior. The electrochemical test results show that both pitting corrosion resistance and interphase corrosion resistance were seriously deteriorated by δ-ferrite formation in the HAZ and their aspects were different with increasing δ-ferrite fraction. The pitting corrosion resistance was decreased by the formation of Cr-depleted zone along δ-ferrite/austenite (γ) interphase resulting from δ-ferrite formation; however it didn't depend on δ-ferrite fraction. The interphase corrosion resistance depends on the total amount of Cr-depleted zone as well as ferrite area and thus continuously decreased with increasing δ-ferrite fraction. The different effects of δ-ferrite fraction on pitting corrosion and interphase corrosion were carefully discussed in terms of alloying elements partitioning in the HAZ based on thermodynamic consideration. - Highlights: • Corrosion behavior in the weld HAZ of high-nitrogen austenitic alloy was studied. • Cr{sub 2}N particle was not precipitated in high heat input welded HAZ of tested alloy. • Pitting corrosion and interphase corrosion show a different behavior. • Pitting corrosion resistance was affected by whether or not δ-ferrite forms. • Interphase corrosion resistance was affected by the total amount of δ-ferrite.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Field retrieved photovoltaic backsheet survey from diverse climate zones: Analysis of degradation patterns and phenomena

Understanding the impact of climate stressors on photovoltaic (PV) backsheet degradation in real-use conditions is critical to improve the accelerated testing exposures, extend the backsheet lifetime, and increase the confidence in PV reliability. Here, in this work, a total of 33 PV module backsheets were retrieved from six climatic zones worldwide with 2 - 28 years of exposure. These modules included five types of backsheet air-side materials (or outer layer): poly(vinylidene fluoride) (PVDF), poly(tetrafluoroethylene-co-hexafluoropropylene-co-vinylidene fluoride) (THV), poly(vinyl fluoride) (PVF), poly(ethylene terephthalate) (PET), and polyamide (PA). Attenuated total reflection Fourier-transform infrared spectroscopy (ATR-FTIR) was used to identify air-side materials. The degradation induced color change, gloss loss, and chemical material changes analyzed using optical microscopy, differential scanning calorimetry (DSC), scanning electron microscopy (SEM), colorimetry (yellowness index (YI)), and gloss measurements. PVDF, THV, and PVF air-side layer backsheets, in particular PVF, had minimal degradation in the air-side layer appearance and chemical structures after exposure in different climatic zones. The PET air-side backsheets exhibited obvious color increase (22.55 YI units after about 9 years exposure) and the PA/PA/PA backsheets showed large gloss loss (up to 76.4 %) relative to the unexposed backsheets. Severe cracks between cells that penetrated through the entire thickness of backsheets are observed on PA/PA/PA backsheets after 4-6 years of exposure in 6 climatic zones. The current indoor exposure standards were not sufficient to identify this degradation type. However, fluoropolymer based PV backsheets showed lower levels of degradation predictors and increased climatic resistance. Specific samples (PVF) showed little change from baseline after 28 years of outdoor exposure.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2018

Mass Transfer Between Recirculation and Main Flow Zones: Is Physically Based Parameterization Possible?

Recirculation zones (RZs) are typical in many geophysical flows. These zones form near irregular solid boundaries and are separate from the main flow. Since mass can be trapped and later released locally from RZs, bulk transport can exhibit long tails—an anomalous behavior that is challenging to predict. The underlying RZ mass transfer and retention in this situation is poorly understood despite common parameterization by effective exchange coefficients in mobile-immobile (MIM) domain models. We viewed the mass transfer process using computationally resolved flow and transport fields inside two-dimensional rough fractures. RZs were delineated by a novel technique followed by quantification of mass transfer across the interface with the main flow zone. The results showed that the first-order mass transfer coefficient is a function of Reynolds number and velocity difference between the RZ and bulk flow. A distributed mobile-immobile model with the directly estimated parameters accurately reproduced bulk anomalous transport. As the distributed mobile-immobile model is not yet predictive, its development showed that mass transfer coefficients for flows involving RZs are physically meaningful, potentially predictable, and useful for elucidating local mass transfer processes within the general framework of mobile-immobile transport modeling.

58 GEOSCIENCES↗

DOE OSTI2022

Elastic Anisotropy of Lizardite at Subduction Zone Conditions

Subduction zones transport water into Earth's deep interior through slab subduction. Serpentine minerals, the primary hydration product of ultramafic peridotite, are abundant in most subduction zones. Characterization of their high-temperature elasticity, particularly their anisotropy, will help us better estimate the extent of mantle serpentinization and the Earth's deep water cycle. Lizardite, the low-temperature polymorph of serpentine, is stable under the P-T conditions of cold subduction slabs (<260°C at 2 GPa), and its high-temperature elasticity remains unknown. Here we report ab initio elasticity and acoustic wave velocities of lizardite at P-T conditions of subduction zones. Our static results agree with previous studies. Its high-temperature velocities are much higher than previous experimental-based lizardite estimates with chrysotile but closer to antigorite velocities. The elastic anisotropy of lizardite is much larger than that of antigorite and could better account for the observed large shear-wave splitting in some cold slabs such as Tonga.

58 GEOSCIENCES↗

DOE OSTI2012

AN ANALYTIC METHOD TO DETERMINE HABITABLE ZONES FOR S-TYPE PLANETARY ORBITS IN BINARY STAR SYSTEMS

With more and more extrasolar planets discovered in and around binary star systems, questions concerning the determination of the classical habitable zone have arisen. Do the radiative and gravitational perturbations of the second star influence the extent of the habitable zone significantly, or is it sufficient to consider the host star only? In this article, we investigate the implications of stellar companions with different spectral types on the insolation a terrestrial planet receives orbiting a Sun-like primary. We present time-independent analytical estimates and compare them to insolation statistics gained via high precision numerical orbit calculations. Results suggest a strong dependence of permanent habitability on the binary's eccentricity, as well as a possible extension of habitable zones toward the secondary in close binary systems.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2013

WATER-PLANETS IN THE HABITABLE ZONE: ATMOSPHERIC CHEMISTRY, OBSERVABLE FEATURES, AND THE CASE OF KEPLER-62e AND -62f

Planets composed of large quantities of water that reside in the habitable zone are expected to have distinct geophysics and geochemistry of their surfaces and atmospheres. We explore these properties motivated by two key questions: whether such planets could provide habitable conditions and whether they exhibit discernable spectral features that distinguish a water-planet from a rocky Earth-like planet. We show that the recently discovered planets Kepler-62e and -62f are the first viable candidates for habitable zone water-planets. We use these planets as test cases for discussing those differences in detail. We generate atmospheric spectral models and find that potentially habitable water-planets show a distinctive spectral fingerprint in transit depending on their position in the habitable zone.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2017

Oscillation phenomena and experimental determination of exact mathematical stability zones for magneto-conductivity in metals having complicated Fermi surfaces

We consider the problem of exact experimental determination of the boundaries of Stability Zones for magneto-conductivity in normal metals in the space of directions of magnetic field B. As can be shown, this problem turns out to be nontrivial since the exact boundaries of Stability Zones are in fact unobservable in direct measurements of conductivity. However, this problem can be effectively solved with the aid of the study of oscillation phenomena (cyclotron resonance, quantum oscillations) in normal metals, which reveal a singular behavior on the mathematical boundary of a Stability Zone.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2018

On the Structure of the Mixing Zone at an Unstable Contact Boundary

The interface between two media of different densities (contact boundary) moving with an acceleration directed from the less dense medium to the more dense one is unstable (Rayleigh–Taylor instability) [1, 2]. The initial perturbations of the interface grow indefinitely and, as a result, a medium mixing zone growing with time is formed at the interface. The structure of such a mixing zone at gas–gas and gas–liquid interfaces is discussed on the basis of laboratory experiments on shock tubes of various types. It is concluded that the regions of turbulent and laminar flows are combined in the mixing zone.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗