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NASA NTRS1999

Chain Dynamics in Magnetorheological Suspensions

Magnetorheological (MR) suspensions are composed of colloidal particles which acquire dipole moments when subjected to an external magnetic field. At sufficient field strengths and concentrations, the dipolar particles rapidly aggregate to form long chains. Subsequent lateral cross-linking of the dipolar chains is responsible for a rapid liquid-to-solid-like rheological transition. The unique, magnetically-activated rheological properties of MR suspensions make them ideal for interfacing mechanical systems to electronic controls. Additionally, the ability to experimentally probe colloidal suspensions interacting through tunable anisotropic potentials is of fundamental interest. Our current experimental work has focused on understanding the fluctuations of dipolar chains. It has been proposed by Halsey and Toor (HT) that the strong Landau-Peierls thermal fluctuations of dipolar chains could be responsible for long-range attractions between chains. Such interactions will govern the long-time relaxation of MR suspensions. We have synthesized monodisperse neutrally buoyant MR suspensions by density matching stabilized ferrofluid emulsion droplets with D2O. This allows us to probe the dynamics of the dipolar chains using light scattering without gravitational, interfacial, and polydispersity effects to resolve the short-wavelength dynamics of the dipolar chains. We used diffusing wave spectroscopy to measure these dynamics. The particle displacements at short times that show an independence to the field strength, but at long times exhibit a constrained, sub-diffusive motion that slows as the dipole strength is increased. The experiments are in good qualitative agreement with Brownian dynamics simulations of dipolar chains. Although there have been several important and detailed studies of the structure and interactions in MR suspensions, there has not been conclusive evidence that supports or contradicts the HT model prediction that long-range interactions exist between fluctuating chains of dipolar particles. Resolving this issue would contribute greatly to the understanding of these interesting and important materials. We have begun to test the predictions of the HT model by both examining the dynamics of individual chains and by measuring the forces between dipolar chains directly to accurately and quantitatively assess the interactions that they experience. To do so, we employ optical trapping techniques and video-microscopy to manipulate and observe our samples on the microscopic level. With these techniques, it is possible to observe chains that are fluctuating freely in three-dimensions, independent of interfacial effects. More importantly, we are able to controllably observe the interactions of two chains at various separations to measure the force-distance profile. The techniques also allow us to study the mechanical properties of individual chains and chain clusters. Our work to this point has focused on reversibly-formed dipolar chains due to field induced dipoles where the combination of this chaining, the dipolar forces, and the hydrodynamic interactions that dictate the rheology of the suspensions. One can envision, however, many situations where optical, electronic, or rheological behavior may be optimized with magneto-responsive anisotropic particles. Chains of polarizable particles may have the best properties as they can coil and flex in the absence of a field and stiffen and orient when a field is applied. We have recently demonstrated a synthesis of stable, permanent paramagnetic chains by both covalently and physically linking paramagnetic colloidal particles. The method employed allows us to create monodisperse chains of controlled length. We observed the stability, field-alignment, and rigidity of this new class of materials. The chains may exhibit unique rheological properties in an applied magnetic field over isotropic suspensions of paramagnetic particles. They are also useful rheological models as bead-spring systems. These chains form the basis for our current experiments with optical traps.

Gast, A. P.↗

NASA NTRS2018

High‐Resolution Mapping of Nitrogen Dioxide With TROPOMI: First Results and Validation Over the Canadian Oil Sands

TROPOspheric Monitoring Instrument (TROPOMI), on-board the Sentinel-5 Precursersatellite, is a nadir-viewing spectrometer measuring reflected sunlight in the ultraviolet, visible,near-infrared, and shortwave infrared. From these spectra several important air quality and climate-relatedatmospheric constituents are retrieved, including nitrogen dioxide (NO2) at unprecedented spatialresolution from a satellite platform. We present the first retrievals of TROPOMI NO2over the Canadian OilSands, contrasting them with observations from the Ozone Monitoring Instrument satellite instrument,and demonstrate TROPOMI's ability to resolve individual plumes and highlight its potential for derivingemissions from individual mining facilities. Further, the first TROPOMI NO2validation is presented,consisting of aircraft and surface in situ NO2observations, and ground-based remote-sensingmeasurements between March and May 2018. Our comparisons show that the TROPOMI NO2verticalcolumn densities are highly correlated with the aircraft and surface in situ NO2observations, and theground-based remote-sensing measurements with a low bias (15–30 %); this bias can be reduced byimproved air mass factors. Plain Language Summary: Nitrogen dioxide (NO2) is a pollutant that is linked to respiratoryhealth issues and has negative environmental impacts such as soil and water acidification. Near thesurface the most significant sources of NO2are fossil fuel combustion and biomass burning. With a recentlylaunched satellite instrument (TROPOspheric Monitoring Instrument [TROPOMI]), NO2can be measuredwith an unprecedented combination of accuracy, spatial coverage, and resolution. This work presents thefirst TROPOMI NO2measurements near the Canadian Oil Sands and shows that these measurements havean outstanding ability to detect NO2on a very high horizontal resolution that is unprecedented for satelliteNO2observations. Further, these satellite measurements are in excellent agreement with aircraft andground-based measurements.

TROPOspheric Monitoring Instrument (TROPOMI)↗

DOE OSTI2024

Decision support for United States—Canada energy integration is impaired by fragmentary environmental and electricity system modeling capacity

The renewable energy transition is leading to increased electricity trade between the United States and Canada, with Canadian hydropower providing firm lower-carbon power and buffering variability of wind and solar generation in the U.S. However, long-term power purchase agreements and transborder transmission projects are controversial, with two of four proposed transmission lines between Quebec, Canada and the northeast U.S. cancelled since 2018. Here, we argue that controversies are exacerbated by a lack of open-source data and tools to understand tradeoffs of new hydropower generation and transmission infrastructure in comparison to alternatives. This gap includes impacts that incremental transmission and generation projects have on the economics of the entire system, for example, how new transmission projects affect exports to existing markets or incentivize new generation. We identify priority areas for data synthesis and model development, such as integrating linked hydropower and hydrologic interactions in energy system models and openly releasing (by utilities) or back-calculating (by researchers) hydropower generation and operational parameters. Publicly available environmental (e.g. streamflow, precipitation) and techno-economic (e.g. costs, reservoir size,) data can be used to parameterize freely usable and extensible models. Existing models have been calibrated with operational data from Canadian utilities that are not publicly available, limiting the range of scientific and commercial questions these tools have been used to answer and the range of parties that have been involved. Studies conducted using highly resolved, national-scale public data exist in other countries, notably, the United States, and demonstrate how greater transparency and extensibility can drive industry action. Improved data availability in Canada could facilitate approaches that (1) increase participation in decarbonization planning by a broader range of actors; (2) allow independent characterizations of environmental, health, and economic outcomes of interest to the public; and (3) identify decarbonization pathways consistent with community values.

13 HYDRO ENERGY↗

DOE OSTI2025

Correlated spin-wave generation and domain-wall oscillation in a topologically textured magnetic film

Spin waves, or magnons, are essential for next-generation energy-efficient spintronics and magnonics. Yet, visualizing spin-wave dynamics at nanoscale and microwave frequencies remains a formidable challenge due to the lack of spin-sensitive, time-resolved microscopy. Here, in this study, we report a breakthrough in imaging dipole-exchange spin waves in a ferromagnetic film owing to the development of laser-free ultrafast Lorentz electron microscopy, which is equipped with a microwave-mediated electron pulser for high spatiotemporal resolution. Using topological spin textures, we captured the emission, propagation, reflection and interference of spin waves from spin anti-vortices under radio-frequency excitations. Remarkably, we show that spin-wave generation is closely tied to the oscillatory motion of specific magnetic domain walls, providing the missing link between wave emission and wall dynamics near magnetic singularities. This work opens new possibilities in magnonics, offering a nanoscopic view of spin dynamics via transmission electron microscopy and enabling controlled excitation via radio-frequency fields for exploring non-equilibrium states in magnetic and multiferroic systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS2011

Ground-Based Centimeter, Millimeter, and Submillimeter Observations of Comet 103P/Hartley 2

Comets provide important clues to the physical and chemical processes that occurred during the formation and early evolution of the Solar System, and could also have been important for initiating prebiotic chemistry on the early Earth [1]. Comets are comprised of molecular ices, that may be pristine interstellar remnants of Solar System formation, along with high-temperature crystalline silicate dust that is indicative of a more thermally varied history in the protosolar nebula [2]. Comparing abundances of cometary parent volatiles, and isotopic fractionation ratios, to those found in the interstellar medium, in disks around young stars, and between cometary families, is vital to understanding planetary system formation and the processing history experienced by organic matter in the so-called interstellar-comet connection [3]. We have conducted observations, at primarily millimeter and submillimeter wavelengths, where molecular emission is easily resolved, towards comets to determine important cosmogonic quantities, such as the ortl1o:pal'a ratio and isotope ratios, as well as probe the origin of cometary organics. Comets provide important clues to the processes that occurred during the formation and early evolution of the Solar System. Past observations, as well as laboratory measurements of cometary material obtained from Stardust, have shown that comets appear to contain a mixture of the products from both interstellar and nebular chemistries. A major observational challenge in cometary science is to quantify the extent to which chemical compounds can be linked to either reservoir.

Milam, S. N.↗

NASA NTRS2016

Toward a Unified Routing Framework for Delay-Tolerant Networking

Routing in Delay-/Disruption-Tolerant Networking (DTN) has long been recognized as a challenging research topic. The difficulty lies in the fact that link intermittency and network partitioning, possibly coupled with long delays, prevent the use of Internet solutions based on an up-to-date comprehensive knowledge of network topology, as communicated by routing protocols. In the literature on DTN routing, there is a dichotomy between solutions designed for deterministic (e.g., space flight) networks, such as Contact Graph Routing (CGR), and the wide variety of protocols designed for opportunistic terrestrial networks. After a discussion of the origin and motivations of this duality, the paper presents an opportunistic extension of CGR (OCGR). The aim is to try to resolve the DTN routing dichotomy by providing a unified approach suitable for all DTN environments.

Routing↗

NASA NTRS1999

Interaction of Burning Metal Particles

Physical characteristics of the combustion of metal particle groups have been addressed in this research. The combustion behavior and interaction effects of multiple metal particles has been studied using a microgravity environment, which presents a unique opportunity to create an "aerosol" consisting of relatively large particles, i.e., 50-300 m diameter. Combustion behavior of such an aerosol could be examined using methods adopted from well-developed single particle combustion research. The experiment included fluidizing relatively large (order of 100 m diameter) uniform metal particles under microgravity and igniting such an "aerosol" using a hot wire igniter. The flame propagation and details of individual particle combustion and particle interaction have been studied using a high speed movie and video-imaging with cameras coupled with microscope lenses to resolve individual particles. Interference filters were used to separate characteristic metal and metal oxide radiation bands from the thermal black body radiation. Recorded flame images were digitized and various image processing techniques including flame position tracking, color separation, and pixel by pixel image comparison were employed to understand the processes occurring in the burning aerosol. The development of individual particle flames, merging or separation, and extinguishment as well as induced particle motion have been analyzed to identify the mechanisms governing these processes. Size distribution, morphology, and elemental compositions of combustion products were characterized and used to link the observed in this project aerosol combustion phenomena with the recently expanded mechanism of single metal particle combustion.

Dreizin, Edward L.↗

DOE OSTI2025

Microstructurally informed synchrotron x-ray analysis revealing helium defect transitions in ultrafine grained tungsten

The formation of insoluble gaseous defects in materials due to nuclear transmutation or ion implantation involves the diffusion of impurity atoms to form atomic defect clusters that coalesce into bubbles or cavities and ultimately degrade the material properties. Transmission electron microscopy (TEM) is limited in its ability to resolve sub-nanometer gas clusters whereas X-ray diffraction (XRD) provides information pertaining to local atomic changes. Here, in this study, helium (He) implanted ultrafine grained tungsten is explored through a multimodal defect characterization campaign combining TEM-informed Small Angle X-ray Scattering (SAXS) analysis, XRD lattice parameter measurements, and nanoscale He cluster quantification from a region of reciprocal space accessible via Wide Angle X-ray Scattering (WAXS). Moderate elevated temperature implantations are shown to produce high concentrations of sub-nanoscale He clusters and small, homogeneously distributed cavities, which collectively are linked to lattice expansion and further substantiated through complementary atomistic simulations. Increased implantation temperatures encourage the diffusion of these defects to the grain boundaries (GBs), leading to lattice relaxation and the growth of large GB cavities manifesting as bimodal size distributions in the SAXS analysis. Overall, our results demonstrate the utility of multimodal synchrotron X-ray analysis in bridging the gap between microscale He cavity quantification and atomic-scale defect analysis.

36 MATERIALS SCIENCE↗

DOE OSTI2026

An uncertainty visualization framework for large-scale cardiovascular flow simulations: A case study on aortic stenosis

We present a generalizable uncertainty quantification (UQ) and visualization framework for lattice Boltzmann method simulations of high Reynolds number vascular flows, demonstrated on a patient-specific stenosed aorta. The framework combines EasyVVUQ for parameter sampling with large-eddy simulation turbulence modeling in HemeLB, and executes ensembles on the Frontier exascale supercomputer. Spatially resolved metrics, including entropy and isosurface-crossing probability, are used to map uncertainty in pressure and wall shear stress fields directly onto vascular geometries. Two sources of model variability are examined: inlet peak velocity and the Smagorinsky constant. Inlet velocity variation produces high uncertainty downstream of the stenosis where turbulence develops, while upstream regions remain stable. Smagorinsky constant variation has little effect on the large-scale pressure field but increases WSS uncertainty in localized high-shear regions. In both cases, the stenotic throat manifests low entropy, indicative of robust identification of elevated WSS. By linking quantitative UQ measures to three-dimensional anatomy, the framework improves interpretability over conventional 1D UQ plots and supports clinically relevant decision-making, with broad applicability to vascular flow problems requiring both accuracy and spatial insight.

Hemodynamics↗

DOE OSTI2024

Evolutionary history of arbuscular mycorrhizal fungi and genomic signatures of obligate symbiosis

The colonization of land and the diversification of terrestrial plants is intimately linked to the evolutionary history of their symbiotic fungal partners. Extant representatives of these fungal lineages include mutualistic plant symbionts, the arbuscular mycorrhizal (AM) fungi in Glomeromycota and fine root endophytes in Endogonales (Mucoromycota), as well as fungi with saprotrophic, pathogenic and endophytic lifestyles. These fungal groups separate into three monophyletic lineages but their evolutionary relationships remain enigmatic confounding ancestral reconstructions. Their taxonomic ranks are currently fluid. In this study, we recognize these three monophyletic linages as phyla, and use a balanced taxon sampling and broad taxonomic representation for phylogenomic analysis that rejects a hard polytomy and resolves Glomeromycota as sister to a clade composed of Mucoromycota and Mortierellomycota. Low copy numbers of genes associated with plant cell wall degradation could not be assigned to the transition to a plant symbiotic lifestyle but appears to be an ancestral phylogenetic signal. Both plant symbiotic lineages, Glomeromycota and Endogonales, lack numerous thiamine metabolism genes but the lack of fatty acid synthesis genes is specific to AM fungi. Many genes previously thought to be missing specifically in Glomeromycota are either missing in all analyzed phyla, or in some cases, are actually present in some of the analyzed AM fungal lineages, e.g. the high affinity phosphorus transporter Pho89. Based on a broad taxon sampling of fungal genomes we present a well-supported phylogeny for AM fungi and their sister lineages. We show that among these lineages, two independent evolutionary transitions to mutualistic plant symbiosis happened in a genomic background profoundly different from that known from the emergence of ectomycorrhizal fungi in Dikarya. These results call for further reevaluation of genomic signatures associated with plant symbiosis.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2026

Kramers nodal line in the charge density wave state of YTe 3 and the influence of twin domains

Recent studies have focused on the relationship between charge density wave (CDW) collective electronic ground states and nontrivial topological states. YTe 3 , a nonmagnetic quasi-two-dimensional chalcogenide, has been reported to exhibit a CDW state below 334 K. Using angle-resolved photoemission spectroscopy (ARPES) and density functional theory (DFT), we establish that YTe 3 is a CDW-induced Kramers nodal line (KNL) metal, a recently proposed topological state of matter. Scanning tunneling microscopy and low energy electron diffraction reveal two orthogonal domains, each with a unidirectional CDW and a similar wave vector (𝐪 CDW ). When the influence of twin domains is considered, the effective band structure (EBS) computations that utilize DFT-calculated bands using a noncentrosymmetric structure determined by x-ray crystallography, show excellent agreement with ARPES. The noncentrosymmetry of YTe 3 is established by Raman spectroscopy. The Fermi surface and ARPES intensity plots show weak shadow bands displaced by 𝐪 CDW from the main bands. Furthermore, these are linked to CDW modulation, as the EBS calculation confirms. Bilayer split main and shadow bands suggest the existence of crossings, according to theory and experiment. DFT bands, including spin-orbit coupling, indicate existence of a KNL along the Σ direction from multiple crossings of bands dispersing perpendicular to it. Additionally, doubly degenerate bands are only found along the KNL at all energies, with some bands dispersing through the Fermi level.

Angle-resolved photoemission spectroscopy↗

DOE OSTI2025

Flat band driven itinerant magnetism in the Co-pnictides CaCo 2⁢ As 2 and LaCo 2 ⁢P 2

Flat bands can induce strong electron correlation effects that help stabilize both magnetic and superconducting states. Here, in this study, we carry out angle-resolved photoemission spectroscopy and density functional theory calculations to study the electronic structure of the Co-pnictides CaCo 2 ⁢As 2 and LaCo 2 ⁢P 2 . We find that the 𝑘 𝑧 Fermi topology of ferromagnetic LaCo 2 ⁢P 2 is markedly two-dimensional, while the antiferromagnetic CaCo 2 ⁢As 2 develops a 3D Fermi surface described by a zigzaglike band dispersion perpendicular to the Co-As plane. Furthermore, the magnetism is driven by the electronic correlations of the flat bands with 𝑑 𝑥⁢𝑦 and 𝑑 𝑧 2 orbital character at the Fermi level. Our results link the electronic dimensionality and the magnetic order and emphasize the critical role of the As-As and P-P bond strength along the 𝑐 direction to understand the electronic band structure and the rich phase diagram of transition metal pnictides.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Energetic Electrons Accelerated and Trapped in a Magnetic Bottle above a Solar Flare Arcade

Where and how flares efficiently accelerate charged particles remains an unresolved question. Recent studies revealed that a “magnetic bottle” structure, which forms near the bottom of a large-scale reconnection current sheet above the flare arcade, is an excellent candidate for confining and accelerating charged particles. However, further understanding its role requires linking the various observational signatures to the underlying coupled plasma and particle processes. Here we present the first study combining multiwavelength observations with data-informed macroscopic magnetohydrodynamics and particle modeling in a realistic eruptive flare geometry. The presence of an above-the-loop-top magnetic bottle structure is strongly supported by the observations, which feature not only a local minimum of magnetic field strength but also abruptly slowing plasma downflows. It also coincides with a compact above-the-loop-top hard X-ray source and an extended microwave source that bestrides the flare arcade. Spatially resolved spectral analysis suggests that nonthermal electrons are highly concentrated in this region. Our model returns synthetic emission signatures that are well matched to the observations. The results suggest that the energetic electrons are strongly trapped in the magnetic bottle region due to turbulence, with only a small fraction managing to escape. The electrons are primarily accelerated by plasma compression and facilitated by a fast-mode termination shock via the Fermi mechanism. Our results provide concrete support for the magnetic bottle as the primary electron acceleration site in eruptive solar flares. They also offer new insights into understanding the previously reported small population of flare-accelerated electrons entering interplanetary space.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1999

Polar Layered Terrains: Links Between the Martian Volatile and Dust Cycles

The nature, origin and evolution of the polar layered terrains are a major mystery of Martian climate. Almost every aspect of these enigmatic terrains surrounding, and probably underlying, the polar residual ice caps is in contention. Are the polar laminae forming today? Are they inactive or even eroding, being mere relics of the past? Are the north and south polar layered terrains fundamentally different in composition, age or process? Are they a physical record of past, possibly cyclic, climate change and, if so, can we learn to read that record? We know from past Mariner 9 and Viking orbital observations that there are layered terrains at high latitudes, defined by alternating bands of visually lighter and darker material appearing in stacks hundreds of meters thick with individual bands as thin as could then be resolved (tens of meters). In this talk, aspects of the polar layered terrains will be reviewed with emphasis on issues likely to be addressed with data from ongoing and near-term flight missions to Mars. Particular attention will be given to what might be learned from observing the present seasonal cycles of dust, water and carbon dioxide on Mars, in conjunction with in situ data from one site on the south polar layered terrain.

Zurek, R. W.↗

DOE OSTI2025

Serial-femtosecond crystallography reveals how a phytochrome variant couples chromophore and protein structural changes

The photoreaction and commensurate structural changes of a chromophore within biological photoreceptors elicit conformational transitions of the protein promoting the switch between deactivated and activated states. We investigated how this coupling is achieved in a bacterial phytochrome variant, Agp2-PAiRFP2. Contrary to classical protein crystallography, which only allows probing (cryo-trapped) stable states, we have used time-resolved serial femtosecond x-ray crystallography (tr-SFX) and pump-probe techniques with various illumination and delay times with respect to photoexcitation of the parent Pfr state. Thus, structural data for seven time frames were sorted into groups of molecular events along the reaction coordinate. They range from chromophore isomerization to the formation of Meta-F, the intermediate that precedes the functional relevant secondary structure transition of the tongue. Structural data for the early events were used to calculate the photoisomerization pathway to complement the experimental data. Late events allow identifying the molecular switch that is linked to the intramolecular proton transfer as a prerequisite for the following structural transitions.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS2006

Controlled Vocabularies Boost International Participation and Normalization of Searches

The Global Change Master Directory's (GCMD) science staff set out to document Earth science data and provide a mechanism for it's discovery in fulfillment of a commitment to NASA's Earth Science progam and to the Committee on Earth Observation Satellites' (CEOS) International Directory Network (IDN.) At the time, whether to offer a controlled vocabulary search or a free-text search was resolved with a decision to support both. The feedback from the user community indicated that being asked to independently determine the appropriate 'English" words through a free-text search would be very difficult. The preference was to be 'prompted' for relevant keywords through the use of a hierarchy of well-designed science keywords. The controlled keywords serve to 'normalize' the search through knowledgeable input by metadata providers. Earth science keyword taxonomies were developed, rules for additions, deletions, and modifications were created. Secondary sets of controlled vocabularies for related descriptors such as projects, data centers, instruments, platforms, related data set link types, and locations, along with free-text searches assist users in further refining their search results. Through this robust 'search and refine' capability in the GCMD users are directed to the data and services they seek. The next step in guiding users more directly to the resources they desire is to build a 'reasoning' capability for search through the use of ontologies. Incorporating twelve sets of Earth science keyword taxonomies has boosted the GCMD S ability to help users define and more directly retrieve data of choice.

Olsen, Lola M.↗

NASA NTRS1983

Use of laboratory spectra for determining vegetation assemblages in Landsat images

A spectral library is a diverse collection of reflectance spectra which are used, not as an image-matching data base, but rather as an interpretive link to the physical/chemical processes that cause absorption of light in plants, minerals, rocks, and soils. Techniques for using this library to interpret Landsat MSS data are described, including the process of normalization which largely eliminates brightness effects of both laboratory and image data. Three image-to-library programs are explained. These have been used successfully to descriminate very small (less than 10 percent) changes in plant species components, to detect the presence of vegetation in units where percent cover is only 5 percent, and to recognize unusual vegetation patterns that relate to substrate changes where the substrate is not directly resolvable.

Adams, J. D.↗

DOE OSTI2025

Distribution of nickel(II) ions adsorbed at the muscovite mica (001)-water interface determined by in-situ resonant anomalous X-ray reflectivity

Mineral-water interfaces mediate adsorption, ion exchange, and secondary mineral formation that control element mobility in natural and engineered systems. Reliable prediction and control of these processes require a fundamental understanding of the interfacial structure that links adsorbed ion speciation to macroscopic sorption capacity and strength. Here, we determine atomic-scale changes in hydration and distribution of Ni(II) at the muscovite mica (001)-water interface using in situ high-resolution X-ray reflectivity (XR) and resonant anomalous X-ray reflectivity (RAXR) at 1 mM NiCl2 and pH 5.7. XR reveals reorganization of the primary hydration structure relative to that in deionized water: the water layer adsorbed in the cavity sites at a height of ~1.3 Å disappears, while distinct solution layers emerge at ~2.3, ~4.1, and ~5.6 Å above the basal oxygen plane. RAXR resolves three interfacial Ni(II) species: a dominant outer-sphere complex at 3.65 Å (~80% of the total coverage), a minor inner-sphere complex at 0.75 Å, and a low-coverage, more distant outer-sphere species at 5.63 Å. These three adsorbed Ni(II) species account for a total Ni(II) coverage of 0.54 ± 0.02 ion per unit cell area that compensates for the surface charge. These results highlight the role of interfacial hydration in controlling the speciation and stability of adsorbate cations on the negatively charged mica surface, providing quantitative insight into predicting the geochemical behavior of divalent metal cations in the aqueous environments.

Lee, Sang Soo↗