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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

The impact of anisotropic thermal expansion on the isothermal annealing of polycrystalline α -uranium

Although grain growth impacts microstructural evolution in a wide variety of materials systems, the effect of anisotropic thermal expansion on grain boundary mobility and texture evolution has not been widely studied. Anisotropic thermal expansion occurs in multiple non-cubic metals, and the thermomechanical processing behavior of these materials can be better understood with further study into the impact of thermal expansion on grain boundary mobility and texture evolution. In this work, we develop a mesoscale phase field model of grain growth that includes the effect of anisotropic thermal expansion, which is applied to study polycrystalline α-uranium, a highly anisotropic metal. Three-dimensional simulations on polycrystalline a-uranium with and without thermal expansion eigenstrains are performed to study the grain boundary mobility and texture evolution as a function of temperature. A strain-free temperature of 933 K is selected, and the system is studied at within the range of 873 – 933 K at intervals of ten degrees, resulting in increasing thermal eigenstrain with decreasing temperature. We also estimate a grain boundary mobility prefactor and activation energy based on existing experimental data of isothermal annealing of α-uranium. The grain boundary mobility is found to display significant deviation from Arrhenius behavior with the inclusion of thermal expansion eigenstrain as the amount of thermal eigenstrain (and thus elastic strain energy within the system) increases. This result explains an experimentally observed grain boundary mobility deviation from Arrhenius behavior. Furthermore, the texture evolution is affected, such that the grain orientations become less random with increasing thermal eigenstrain, which could explain experimentally observed texture behavior. These results indicate that the effect of thermal expansion should be considered when predicting the thermomechanical processing behavior of α-uranium and other materials with anisotropic thermal expansion.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2018

Benchmarking ADMM in Nonconvex NLPs

Here, we study connections between the alternating direction method of multipliers (ADMM), the classical method of multipliers (MM), and progressive hedging (PH). The connections are used to derive benchmark metrics and strategies to monitor and accelerate convergence and to help explain why ADMM and PH are capable of solving complex nonconvex NLPs. Specifically, we observe that ADMM is an inexact version of MM and approaches its performance when multiple coordination steps are performed. In addition, we use the observation that PH is a specialization of ADMM and borrow Lyapunov function and primal-dual feasibility metrics used in ADMM to explain why PH is capable of solving nonconvex NLPs. This analysis also highlights that specialized PH schemes can be derived to tackle a wider range of stochastic programs and even other problem classes. Our exposition is tutorial in nature and seeks to to motivate algorithmic improvements and new decomposition strategies.

42 ENGINEERING↗
DOE OSTI2012

Spin-Orbit Coupling in Actinide Cations

The limiting case of Russell-Saunders coupling, which leads to a maximum spin alignment for the open shell electrons, usually explains the properties of high spin ionic crystals with transition metals. For actinide compounds, the spin-orbit splitting is large enough to cause a significantly reduced spin alignment. Novel concepts are used to explain the dependence of the spin alignment on the 5f shell occupation. We present evidence that the XPS of ionic actinide materials may provide direct information about the angular momentum coupling within the 5f shell.

Bagus, Paul S↗
DOE OSTI2014

Compensatory mitigation and screening rules in environmental impact assessment

Concerns about the effectiveness of environmental impact assessment (EIA) have prompted proposals to improve its performance by limiting the discretion of decision-makers in screening. To investigate whether such proposals are likely to generate the desired results, we conducted an evaluation of the screening process under the Australian government's EIA regime from its introduction on 16 July 2000 to 30 June 2013 (study period). Almost 1 in 5 ‘particular manner’ decisions—a type of screening decision under the regime—were found to be unlawful. The extent of non-compliance is explained on the basis of convenience. The department was required to assess a large number of projects under tight timeframes and with limited resources, while being pressured by proponents to allow their projects to bypass EIA. These pressures resulted in the development of an informal custom whereby the formal compensatory mitigation restrictions were frequently ignored. The results highlight the relative significance of formal and informal institutions in EIA. Formal EIA rules typically provide a mere outline of the process. The informal institutions adopted by administrators often have a greater influence on how the process operates and what it achieves. - Highlights: • Concerns about the effectiveness of environmental impact assessment (EIA) have prompted proposals to improve its performance by limiting the discretion of decision-makers in screening. • To investigate whether such proposals are likely to generate the desired results, we conducted an evaluation of the Australian government's screening process, looking at the extent of compliance with a formal prohibition on the consideration of compensatory mitigation. • Almost 1 in 5 ‘particular manner’ decisions – a type of screening decision under the regime – were found to be unlawful (with a 95% confidence interval of between 1:4 and 1:7) because of a failure to abide by the compensatory mitigation restrictions. For urban development actions, the ratio between lawful and unlawful particular manner decisions was worse than 1:1. • The extent of non-compliance is explained on the basis of convenience. Budget and interest group pressures resulted in the development of an informal custom whereby the formal compensatory mitigation restrictions were ignored. • The results highlight the relative significance of formal and informal institutions in EIA. Formal EIA rules typically provide a mere outline of the process. The informal institutions adopted by administrators often have a greater influence on how the process operates and what it achieves.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2015

A review of uncertainty research in impact assessment

This paper examines uncertainty research in Impact Assessment (IA) and the focus of attention of the IA scholarly literature. We do so by first exploring ‘outside’ the IA literature, identifying three main themes of uncertainty research, and then apply these themes to examine the focus of scholarly research on uncertainty ‘inside’ IA. Based on a search of the database Scopus, we identified 134 journal papers published between 1970 and 2013 that address uncertainty in IA, 75% of which were published since 2005. We found that 90% of IA research addressing uncertainty focused on uncertainty in the practice of IA, including uncertainty in impact predictions, models and managing environmental impacts. Notwithstanding early guidance on uncertainty treatment in IA from the 1980s, we found no common, underlying conceptual framework that was guiding research on uncertainty in IA practice. Considerably less attention, only 9% of papers, focused on uncertainty communication, disclosure and decision-making under uncertain conditions, the majority of which focused on the need to disclose uncertainties as opposed to providing guidance on how to do so and effectively use that information to inform decisions. Finally, research focused on theory building for explaining human behavior with respect to uncertainty avoidance constituted only 1% of the IA published literature. We suggest the need for further conceptual framework development for researchers focused on identifying and addressing uncertainty in IA practice; the need for guidance on how best to communicate uncertainties in practice, versus criticizing practitioners for not doing so; research that explores how best to interpret and use disclosures about uncertainty when making decisions about project approvals, and the implications of doing so; and academic theory building and exploring the utility of existing theories to better understand and explain uncertainty avoidance behavior in IA. - Highlights: • We identified three main themes of uncertainty research in 134 papers from the scholarly literature. • The majority of research has focused on better methods for managing uncertainty in predictions. • Uncertainty disclosure is demanded of practitioners, but there is little guidance on how to do so. • There is limited theoretical explanation as to why uncertainty is avoided or not disclosed. • Conceptual, practical and theoretical guidance are required for IA uncertainty consideration.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

No evidence of a threshold in traffic volume affecting road-kill mortality at a large spatio-temporal scale

Previous studies have found that the relationship between wildlife road mortality and traffic volume follows a threshold effect on low traffic volume roads. We aimed at evaluating the response of several species to increasing traffic intensity on highways over a large geographic area and temporal period. We used data of four terrestrial vertebrate species with different biological and ecological features known by their high road-kill rates: the barn owl (Tyto alba), hedgehog (Erinaceus europaeus), red fox (Vulpes vulpes) and European rabbit (Oryctolagus cuniculus). Additionally, we checked whether road-kill likelihood varies when traffic patterns depart from the average. We used annual average daily traffic (AADT) and road-kill records observed along 1000 km of highways in Portugal over seven consecutive years (2003–2009). We fitted candidate models using Generalized Linear Models with a binomial distribution through a sample unit of 1 km segments to describe the effect of traffic on the probability of finding at least one victim in each segment during the study. We also assigned for each road-kill record the traffic of that day and the AADT on that year to test for differences using Paired Student's t-test. Mortality risk declined significantly with traffic volume but varied among species: the probability of finding road-killed red foxes and rabbits occurs up to moderate traffic volumes (< 20,000 AADT) whereas barn owls and hedgehogs occurred up to higher traffic volumes (40,000 AADT). Perception of risk may explain differences in responses towards high traffic highway segments. Road-kill rates did not vary significantly when traffic intensity departed from the average. In summary, we did not find evidence of traffic thresholds for the analysed species and traffic intensities. We suggest mitigation measures to reduce mortality be applied in particular on low traffic roads (< 5000 AADT) while additional measures to reduce barrier effects should take into account species-specific behavioural traits. - Highlights: • Traffic and road-kills were analysed along 1000 km of highways over seven years. • Mortality risk declined significantly with traffic volume. • Perception of risk may explain different responses towards high traffic sections. • Reducing barrier effects should take into account species behavioural traits.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

The influence of actor capacities on EIA system performance in low and middle income countries —Cases from Georgia and Ghana

In this paper, we aim to better understand the factors that contribute to the substantive performance of EIA systems in low and middle income countries. Substantive performance is defined as the extent to which the EIA process contributes to the EIA objectives for the long term, namely environmental protection or, even more ambitious, sustainable development. We have therefore developed a conceptual model in which we focus on the key actors in the EIA system, the proponent and the EIA authority and their level of ownership as a key capacity to measure their performance, and we distinguish procedural performance and some contextual factors. This conceptual model is then verified and refined for the EIA phase and the EIA follow-up phase (permitting, monitoring and enforcement) by means of 12 case studies from Ghana (four cases) and Georgia (eight cases), both lower–middle income countries. We observe that in most cases the level of substantive performance increases during the EIA phase but drops during the EIA follow-up phase, and as a result only five out of 12 operational cases are in compliance with permit conditions or national environmental standards. We conclude, firstly that ownership of the proponent is the most important factor explaining the level of substantive performance; the higher the proponent's level of ownership the higher the level of substantive performance. The influence of the EIA authority on substantive performance is limited. Secondly, the influence of procedural performance on substantive performance seems less important than expected in the EIA phase but more important during the EIA follow-up phase. In order to improve substantive performance we learned two lessons. Firstly, increasing the proponent's level of ownership seems obvious, but direct change is probably difficult. However, where international finance institutes are involved they can increase ownership. Despite the limited influence of the EIA authority, a proactive strategy of, for example, working together with international finance institutes has a slightly larger influence than a reactive strategy. - Highlights: • Ownership of the proponent is the most important factor explaining the level of substantive performance. • The influence of the EIA authority on substantive performance is limited. • The influence of procedural performance on substantive performance seems less important than expected in the EIA phase but more important during the EIA follow-up phase.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Microbial influences on hormesis, oncogenesis, and therapy: A review of the literature

Utilization of environmental stimuli for growth is the main factor contributing to the evolution of prokaryotes and eukaryotes, independently and mutualistically. Epigenetics describes an organism’s ability to vary expression of certain genes based on their environmental stimuli. The diverse degree of dose-dependent responses based on their variances in expressed genetic profiles makes it difficult to ascertain whether hormesis or oncogenesis has or is occurring. In the medical field this is shown where survival curves used in determining radiotherapeutic doses have substantial uncertainties, some as large as 50% (Barendsen, 1990). Many in-vitro radiobiological studies have been limited by not taking into consideration the innate presence of microbes in biological systems, which have either grown symbiotically or pathogenically. Present in-vitro studies neglect to take into consideration the varied responses that commensal and opportunistic pathogens will have when exposed to the same stimuli and how such responses could act as stimuli for their macro/microenvironment. As a result many theories such as radiation carcinogenesis explain microscopic events but fail to describe macroscopic events (Cohen, 1995). As such, this review shows how microorganisms have the ability to perturb risks of cancer and enhance hormesis after irradiation. It will also look at bacterial significance in the microenvironment of the tumor before and during treatment. In addition, bacterial systemic communication after irradiation and the host’s immune responses to infection could explain many of the phenomena associated with bystander effects. Therefore, the present literature review considers the paradigms of hormesis and oncogenesis in order to find a rationale that ties them all together. This relationship was thus characterized to be the microbiome.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Contrasted accumulation patterns of persistent organic pollutants and mercury in sympatric tropical dolphins from the south-western Indian Ocean

Due to their high trophic position and long life span, small cetaceans are considered as suitable bioindicators to monitor the presence of contaminants in marine ecosystems. Here, we document the contamination with persistent organic pollutants (POPs) and total mercury (T-Hg) of spinner (Stenella longirostris, n =21) and Indo-Pacific bottlenose dolphins (Tursiops aduncus, n=32) sampled from the coastal waters of La Réunion (south-western Indian Ocean). In addition, seven co-occurring teleost fish species were sampled and analyzed as well. Blubber samples from living dolphins and muscle from teleosts were analyzed for polychlorinated biphenyls (PCBs), DDT and metabolites (DDTs), chlordanes (CHLs), hexachlorocyclohexanes (HCHs), hexachlorobenzene (HCB), and polybrominated diphenyl ethers (PBDEs). Methoxylated PBDEs (MeO-PBDEs), reported as having a natural origin, were also analyzed. T-Hg levels were measured in blubber and skin biopsies of the two dolphin species. Stable isotopes δ{sup 13}C and δ{sup 15}N values were determined in skin of the dolphins and in the muscle of teleosts. For PCBs, HCHs and T-Hg, concentrations were significantly higher in T. aduncus than in S. longirostris. For other POP levels, intra-species variability was high. MeO-PBDEs were the dominant compounds (55% of the total POPs) in S. longirostris, while PCBs dominated (50% contribution) in T. aduncus. Other contaminants showed similar profiles between the two species. Given the different patterns of POPs and T-Hg contamination and the δ{sup 15}N values observed among analyzed teleosts, dietary and foraging habitat preferences most likely explain the contrasted contaminant profiles observed in the two dolphin species. Levels of each class of contaminants were significantly higher in males than females. Despite their spatial and temporal overlap in the waters of La Réunion, S. longirostris and T. aduncus are differently exposed to contaminant accumulation. - Highlights: • POPs and total Hg were measured in spinner and bottlenose dolphins from La Réunion. • Levels of PCBs, PBDEs and T-Hg were lower in spinner than in bottlenose dolphins. • Contrasted contaminant profiles were observed between the two dolphin species. • Profiles are most likely explained by dietary and foraging habitat preferences.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Identification of PM{sub 10} characteristics involved in cellular responses in human bronchial epithelial cells (Beas-2B)

Notwithstanding evidence is present that physicochemical characteristics of ambient particles attribute to adverse health effects, there is still some lack of understanding in this complex relationship. At this moment it is not clear which properties (such as particle size, chemical composition) or sources of the particles are most relevant for health effects. This study investigates the in vitro toxicity of PM{sub 10} in relation to PM chemical composition, black carbon (BC), endotoxin content and oxidative potential (OP). In 2013–2014 PM{sub 10} was sampled (24 h sampling, 108 sampling days) in ambient air at three sites in Flanders (Belgium) with different pollution characteristics: an urban traffic site (Borgerhout), an industrial area (Zelzate) and a rural background location (Houtem). To characterize the toxic potential of PM{sub 10}, airway epithelial cells (Beas-2B cells) have been exposed to particles in vitro. Different endpoints were studied including cell damage and death (cell viability) using the Neutral red Uptake assay, the production of pro-inflammatory molecules by interleukin 8 (IL-8) induction and DNA-damaging activity using the FPG-modified Comet assay. The endotoxin levels in the collected samples were analysed and the capacity of PM{sub 10} particles to produce reactive oxygen species (OP) was evaluated by electron paramagnetic resonance (EPR) spectroscopy. Chemical characteristics of PM{sub 10} (BC, As, Cd, Cr, Cu, Mn, Ni, Pb, Zn) and meteorological conditions were recorded on the sampling days. PM{sub 10} particles exhibited dose-dependent cytotoxicity in Beas-2B cells and were found to significantly induce the release of IL-8 in samples from the three locations. Oxidatively damaged DNA was observed in exposed Beas-2B cells. Endotoxin levels above the detection limit were detected in half of the samples. OP was measurable in all samples. Associations between PM{sub 10} characteristics and biological effects of PM{sub 10} were assessed by single and multiple regression analyses. The reduction in cell viability was significantly correlated with BC, Cd and Pb. The induction of IL-8 in Beas-2B cells was significantly associated with Cu, Ni and Zn and endotoxin. Endotoxin levels explained 33% of the variance in IL-8 induction. A significant interaction between ambient temperature and endotoxin on the pro-inflammatory activity was seen. No association was found between OP and the cellular responses. This study supports the hypothesis that, on an equal mass basis, PM{sub 10} induced biological effects differ due to differences in PM{sub 10} characteristics. Metals (Cd, Cu, Ni and Zn), BC, and endotoxin were among the main determinants for the observed biological responses. - Highlights: • On an equal mass basis, PM{sub 10} sampled at an urban, rural and industrial site induced different cellular effects in Beas-2B. • Endotoxin levels and oxidative potential (OP) were analysed in the PM{sub 10} samples. • Black carbon, cadmium and lead were correlated with decreased cell viability. • Endotoxin levels explained the majority of the variance in il-8 induction. • Oxidatively damaged DNA was observed in all the samples.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Lessons to be learned from a contentious challenge to mainstream radiobiological science (the linear no-threshold theory of genetic mutations)

There are both statistically valid and invalid reasons why scientists with differing default hypotheses can disagree in high-profile situations. Examples can be found in recent correspondence in this journal, which may offer lessons for resolving challenges to mainstream science, particularly when adherents of a minority view attempt to elevate the status of outlier studies and/or claim that self-interest explains the acceptance of the dominant theory. Edward J. Calabrese and I have been debating the historical origins of the linear no-threshold theory (LNT) of carcinogenesis and its use in the regulation of ionizing radiation. Professor Calabrese, a supporter of hormesis, has charged a committee of scientists with misconduct in their preparation of a 1956 report on the genetic effects of atomic radiation. Specifically he argues that the report mischaracterized the LNT research record and suppressed calculations of some committee members. After reviewing the available scientific literature, I found that the contemporaneous evidence overwhelmingly favored a (genetics) LNT and that no calculations were suppressed. Calabrese's claims about the scientific record do not hold up primarily because of lack of attention to statistical analysis. Ironically, outlier studies were more likely to favor supra-linearity, not sub-linearity. Finally, the claim of investigator bias, which underlies Calabrese's accusations about key studies, is based on misreading of text. Attention to ethics charges, early on, may help seed a counter narrative explaining the community's adoption of a default hypothesis and may help focus attention on valid evidence and any real weaknesses in the dominant paradigm. - Highlights: • Edward J Calabrese has made a contentious challenge to mainstream radiobiological science. • Such challenges should not be neglected, lest they enter the political arena without review. • Key genetic studies from the 1940s, challenged by Calabrese, were found consistent and unbiased. • A 1956 genetics report did not hide estimates and does not need investigation for misconduct. • The scientific record was strong for a no-threshold, linear genetic response to radiation.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗
DOE OSTI2018

Land use regression models for the oxidative potential of fine particles (PM2.5) in five European areas

Highlights: • OP moderately correlated (r ~.6) with PM{sub 2.5} mass, NO{sub 2}, and elemental constituents. • OP{sup AA} and OP{sup GSH} LUR models were developed and evaluated for five areas. • Three reasonably performing (R{sup 2}: .45–.58) OP{sup AA} LUR models in hold-out validation. • OP{sup GSH} models were not robust to new coefficients derived against sub-samples of sites. Oxidative potential (OP) of particulate matter (PM) is proposed as a biologically-relevant exposure metric for studies of air pollution and health. We aimed to evaluate the spatial variability of the OP of measured PM{sub 2.5} using ascorbate (AA) and (reduced) glutathione (GSH), and develop land use regression (LUR) models to explain this spatial variability. We estimated annual average values (m{sup −3}) of OP{sup AA} and OP{sup GSH} for five areas (Basel, CH; Catalonia, ES; London-Oxford, UK (no OP{sup GSH}); the Netherlands; and Turin, IT) using PM{sub 2.5} filters. OP{sup AA} and OP{sup GSH} LUR models were developed using all monitoring sites, separately for each area and combined-areas. The same variables were then used in repeated sub-sampling of monitoring sites to test sensitivity of variable selection; new variables were offered where variables were excluded (p > .1). On average, measurements of OP{sup AA} and OP{sup GSH} were moderately correlated (maximum Pearson's maximum Pearson's R = = .7) with PM{sub 2.5} and other metrics (PM{sub 2.5}absorbance, NO{sub 2}, Cu, Fe). HOV (hold-out validation) R{sup 2} for OP{sup AA} models was .21, .58, .45, .53, and .13 for Basel, Catalonia, London-Oxford, the Netherlands and Turin respectively. For OP{sup GSH}, the only model achieving at least moderate performance was for the Netherlands (R{sup 2} = .31). Combined models for OP{sup AA} and OP{sup GSH} were largely explained by study area with weak local predictors of intra-area contrasts; we therefore do not endorse them for use in epidemiologic studies. Given the moderate correlation of OP{sup AA} with other pollutants, the three reasonably performing LUR models for OP{sup AA} could be used independently of other pollutant metrics in epidemiological studies.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Contribution of diet and other factors to the observed levels of selected perfluoroalkyl acids in serum among US children aged 3-11 years

Highlights: • Diet was the predominant factor in explaining variability associated with PFAAs. • Boys had higher adjusted geometric mean than girls for MPAH and NPFOS. • Exposure to ETS was associated with 12.6% increase in the levels of NPFOA. Data from National Health and Nutrition Examination Survey for 2013–2014 for children aged 3–11 years (N = 639) were analyzed to evaluate the contribution of diet and other factors in variability associated with the observed levels of seven perfluoroalkyl acids in serum, namely, 2(N-methyl-perfluorooctane sulfonamide) acetic acid (MPAH), perfluorodecanoic acid (PFDE), perfluorononanoic acid (PFNA), perflurorohexane sulfonic acid (PFHxS), linear isomer of PFOA (NPFOA), linear isomer of PFOS (NPFOS), and monomethyl isomer of PFOS (MPFOS). Diet accounted for a low of 18.6% of the total explained variance in the adjusted levels of NPFOA and a high of 72.3% for PFNA. Consumption of meat other than fish and poultry was associated with increased levels of NPFOS (β = 0.00035, p < 0.01) and MPFOS (β = 0.00027, p=0.02). However, consumption of fish was associated with decreased levels of PFDE (β = − 0.00058, p=0.01). Consumption of eggs was associated with higher levels of PFDE (β = 0.00105, p=0.04). Higher levels of PFHxS were associated with consumption of fruits and juices (β = 0.00019, p = 0.03). Exposure to environmental tobacco smoke in indoor environments other than home was associated with 12.6% increase in the levels of NPFOA. Boys had higher adjusted geometric mean (AGM) than girls for MPAH (0.88 vs. 0.70 ng/mL, p = 0.04) and NPFOS (2.73 vs. 2.27 ng/mL, p = 0.04). Non-Hispanic white had higher AGMs than Hispanics for MPAH (0.15 vs. 0.07, p < 0.01), for NPFOA (1.98 vs. 1.64 ng/mL, p < 0.01), and MPFOS (1.39 vs. 1.18 ng/mL, p = 0.03). Non-Hispanic white also had higher AGM than non-Hispanic Asians and others for PFHxS (0.99 vs. 0.63 ng/mL, p < 0.01) and NPFOA (1.98 vs. 1.53 ng/mL, p < 0.01).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Effects of biometrics, location and persistent organic pollutants on blood clinical-chemical parameters in polar bears (Ursus maritimus) from Svalbard, Norway

Highlights: • BCCPs in polar bears may be affected by sex, age, biometrics, lipids and location. • POPs were correlated with HCT and HDL in females, and HCT, GGT, ASAT and CHOL in males. • POPs related biological effects on liver and kidney BCCP values were suggested. • HCT may be used as a simple cost-efficient biomarker of POP exposure in polar bears. • POPs effects on HDL and CHOL may indicate increased risk of cardiovascular disease in polar bears. In the present study, blood clinical-chemical parameters (BCCPs) were analysed in 20 female and 18 male Svalbard polar bears (Ursus maritimus) captured in spring 2007. The aim was to study how age, body condition (BC), biometrics, plasma lipid content and geographical location may confound the relationship between persistent organic pollutants (POPs) including PCBs, HCB, chlordanes, DDTs, HCHs, mirex and OH-PCBs and the concentrations of 12 specific BCCPs (hematocrit [HCT], hemoglobin [HB], aspartate aminotransferase [ASAT], alanine aminotransferase [ALAT], γ-glutamyltransferase [GGT], creatine kinase [CK], triglycerides [TG], cholesterol [CHOL], high-density lipoprotein [HDL], creatinine (CREA], urea, potassium (K]), and to investigate if any of these BCCPs may be applied as potential biomarkers for POP exposure in polar bears. Initial PCA and O-PLS modelling showed that age, lipids, BC and geographical location (longitude and latitude) were important parameters explaining BCCPs in females. Following subsequent partial correlation analyses correcting for age and lipids, multiple POPs in females were still significantly correlated with HCT and HDL (all p < 0.05). In males, age, BM, BC and longitude were important parameters explaining BCCPs. Following partial correlation analyses correcting for age, biometrics, lipids and longitude in males, multiple POPs were significantly correlated with HCT, ASAT, GGT and CHOL (all p < 0.05). In conclusion, several confounding parameters has to be taken into account when studying the relations between BCCPs and POPs in polar bears. When correcting for these, in particular HCT may be used as a simple cost-efficient biomarker of POP exposure in polar bears. Furthermore, decreasing HDL concentrations and increasing CHOL concentration with increasing POP concentrations may indicate responses related to increased risk of cardiovascular disease. We therefore suggest to further study POP exposure and lipidome response to increase knowledge of the risk of cardiometabolic syndrome in polar bears.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

Rolling hills on the core-mantle boundary

Recent results suggest that an iron-rich oxide may have fractionally crystallized from a primordial magma ocean and settled on the core–mantle boundary (CMB). Based on experimental results, the presence of only a few percent of Fe-rich oxide could slow seismic waves down by several percent. This heavy layer can become highly undulating as predicted from dynamic modeling but can remain as a distinct structure with uniform velocity reductions. Here, we use the large USArray seismic network to search for such structures. Strong constraints on D" are provided by the core-phase SKS where it bifurcates, containing a short segment of P-wave diffractions (P d ) when crossing the CMB, called SKS d . Synthetics from models with moderate velocity drops (less than 10%) involving a layer with variable thickness, perhaps a composite of sharp small structures, with strong variation in thickness can explain both the observed SKS d waveforms and large scatter in differential times between SKKS and SKS. A smooth 3D image is obtained from inverting SKS d waveforms displaying rolling-hills with elongated dome-like structures sitting on the CMB. The most prominent one has an 80-km height, ~8° length, and ~4° width, thus adding still more structural complexity to the lower mantle. We suggest that these results can be explained by a dynamically-stabilized material containing small amounts (~5%) iron-rich (Mg,Fe)O providing a self-consistent physical interpretation.

Sun, Daoyuan↗
DOE OSTI2015

Mechanism of co-seismic water level change following four great earthquakes – insights from co-seismic responses throughout the Chinese mainland

In this study, we analyze the co-seismic groundwater level responses to four great earthquakes recorded by China's network of groundwater monitoring wells. The large number of operational wells (164 wells for the 2007 Mw 8.5 Sumatra earthquake, 245 wells for the Mw 7.9 Wenchuan earthquake, 228 wells for the Mw 9.0 Tohoku earthquake and 223 wells for 2012 Mw 8.6 Sumatra earthquake) and co-seismic responses provide an opportunity to test hypotheses on mechanisms for co-seismic water level changes. Overall, the co-seismic water level responses are complex over large spatial scales, and there is great variability both in the sign and amplitude of water level responses in the data set. As shown in previous studies, permeability change, rather than static strain, is a more plausible mechanism to explain most of the co-seismic responses. However, we find through tidal analysis of water level responses to solid Earth tide that only one third of these wells that showed a sustained post-seismic response can be explained by earthquake-induced permeability change in aquifers, and these wells had sustained (>30 days) water level changes. Lastly, wells that did not show sustained changes are more likely affected by permeability changes only immediately adjacent to the wellbore.

58 GEOSCIENCES↗
DOE OSTI2019

The effect of core composition on iron isotope fractionation between planetary cores and mantles

We have conducted high-pressure, high-temperature isotope exchange experiments between molten silicate and molten Fe–Si–C-alloys to constrain the effect of Si on equilibrium Fe isotope fractionation during planetary core formation. The values of Δ 57 Fe Metal-Silicate at 1850 °C and 1 GPa determined by high-resolution MC-ICP-MS in this study range from -0.013 ± 0.054‰ (2SE) to 0.072 ± 0.085‰ with 1.34–8.14 atom % Si in the alloy, respectively. These results, although not definitive on their own, are consistent with previous experimental results from our group and a model in which elements that substitute for Fe atoms in the alloy structure (i.e., Ni, S, and Si) induce a fractionation of Fe isotopes between molten silicate and molten Fe-alloys during planetary differentiation. Using in situ synchrotron X-ray diffraction data for molten Fe-rich alloys from the literature, we propose a model to explain this fractionation behavior in which impurity elements in Fe-alloys cause the nearest neighbor atomic distances to shorten, thereby stiffening metallic bonds and increasing the preference of the alloy for heavy Fe isotopes relative to the silicate melt. This fractionation results in the bulk silicate mantles of the smaller terrestrial planets and asteroids becoming isotopically light relative to chondrites, with an enrichment of heavy Fe isotopes in their cores, consistent with magmatic iron meteorite compositions. Our model predicts a bulk silicate mantle $δ^{57}$Fe ranging from -0.01‰ to -0.12‰ for the Moon, -0.06‰ to -0.33‰ for Mars, and -0.08‰ to -0.33‰ for Vesta. Independent estimates of the $δ^{57}$Fe of primitive mantle source regions that account for Fe isotope fractionation during partial melting agree well with these ranges for all three planetary bodies and suggest that Mars and Vesta have cores with impurity (i.e., Ni, S, Si) abundances near the low end of published ranges. Therefore, we favor a model in which core formation results in isotopically light bulk silicate mantles for the Moon, Mars, and Vesta. The processes of magma ocean crystallization, mantle partial melting, and fractional crystallization of mantle-derived melts are all likely to result in heavy Fe isotope enrichment in the melt phase, which can explain why basaltic samples from these planetary bodies have variable Fe values consistently heavier than our bulk mantle estimates. Additionally, we find no clear evidence that Fe isotopes were fractionated to a detectable level by volatile depletion processes during or after planetary accretion, although it cannot be ruled out.

58 GEOSCIENCES↗
DOE OSTI2022

Tungsten and molybdenum isotopic evidence for an impact origin of pallasites

The origin of pallasites—stony-iron meteorites mainly composed of olivine and Fe-Ni metal—is debated and proposed formation scenarios broadly range from models that explain pallasite formation by internal processes in the mantle of a differentiated planetesimal to those that involve impact–induced mixing of core and mantle materials. Here, the origin of pallasites is examined by studying the nebular source regions of their precursor material using Mo isotopes and their history of metal-silicate segregation using Hf-W chronometry. We report new Mo and W isotopic data for a large suite of pallasite metal samples, alongside Pt isotope data to quantify superimposed cosmic ray exposure effects. Most main-group pallasites exhibit uniform pre-exposure 182 W and Mo isotopic compositions that bear an excellent similarity to those of IIIAB iron meteorites. Four main-group pallasites and the IIIAB iron Thunda have more radiogenic pre-exposure 182 W compositions, but display the same Mo isotopic composition as other main-group pallasites and IIIAB irons. This strong chronological and genetic link strongly suggests that main-group pallasite metal originated in the IIIAB parent body core. This, combined with prior Pd-Ag chronometric evidence for an early collisional disruption of the IIIAB parent body, implies that main-group pallasites formed by impact–induced mixing of metal and silicates rather than by an internal process on the IIIAB parent body. This mixing led to elevated 182 W compositions in some pallasites, which are best accounted for by partial re-equilibration of IIIAB metal with radiogenic 182 W from the colliding body. Altogether, our results support models that explain main-group pallasite formation by injection of pallasite metal into the mantle of another differentiated body, implying that pallasite silicates did not primarily derive from the IIIAB mantle, but instead from that of the colliding body.

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