Physical Sciences and Mathematics Commons^™

Computational Screening Of New Perovskite Materials Using Transfer Learning And Deep Learning, Xiang Li, Yabo Dan, Rongzhi Dong, Zhuo Cao, Chengcheng Niu, Yuqi Song, Shaobo Li, Jianjun Hu

Faculty Publications

As one of the most studied materials, perovskites exhibit a wealth of superior properties that lead to diverse applications. Computational prediction of novel stable perovskite structures has big potential in the discovery of new materials for solar panels, superconductors, thermal electric, and catalytic materials, etc. By addressing one of the key obstacles of machine learning based materials discovery, the lack of sufficient training data, this paper proposes a transfer learning based approach that exploits the high accuracy of the machine learning model trained with physics-informed structural and elemental descriptors. This gradient boosting regressor model (the transfer learning model) allows us …

The Distribution Of Ultra-Diffuse And Ultra-Compact Galaxies In The Frontier Fields, Steven Janssens, Roberto Abraham, Jean Brodie, Duncan Forbes, Aaron Romanowsky

Faculty Publications

Large low-surface-brightness galaxies have recently been found to be abundant in nearby galaxy clusters. In this paper, we investigate these ultra-diffuse galaxies (UDGs) in the six Hubble Frontier Fields galaxy clusters: A2744, MACS J0416.1−2403, MACS J0717.5+3745, MACS J1149.5+2223, AS1063, and A370. These are the most massive (1–3 × 1015 M ⊙) and distant (0.308 < z < 0.545) systems in which this class of galaxy has yet been discovered. We estimate that the clusters host of the order of ~200–1400 UDGs inside the virial radius (R 200), consistent with the UDG abundance–halo-mass relation found in the local universe, and suggest that UDGs may be formed in clusters. Within each cluster, however, we find that UDGs are not evenly distributed. Instead their projected spatial distributions are lopsided, and they are deficient in the regions of highest mass density as traced by gravitational lensing. While the deficiency of UDGs in central regions is not surprising, the lopsidedness is puzzling. The UDGs, and their lopsided spatial distributions, may be associated with known substructures late in their infall into the clusters, meaning that we find evidence both for formation of UDGs in clusters and for UDGs falling into clusters. We also investigate the ultra-compact dwarfs (UCDs) residing in the clusters, and find that the spatial distributions of UDGs and UCDs appear anticorrelated. Around 15% of UDGs exhibit either compact nuclei or nearby point sources. Taken together, these observations provide additional evidence for a picture in which at least some UDGs are destroyed in dense cluster environments and leave behind a residue of UCDs.

Comparison Of Charge Storage Properties Of Prussian Blue Analogues Containing Cobalt And Copper, Amanda Rensmo, Jennifer R. Hampton

Faculty Publications

Prussian blue analogues are of great interest as alternative battery materials because of their long life cycle and potential use of earth-abundant elements. In this work, thin film mixed-metal hexacyanoferrates (HCFs) based on NiCo and NiCu alloys were fabricated in an all electrochemical process. The structure and composition of the samples were characterized, along with the charge storage capacity and kinetics of the charge transfer reaction. For both NiCo-HCF and NiCu-HCF samples, the total charge capacity increased with the substitution of Ni with more Co or Cu, and the increase was larger for Cu samples than for Co samples. On …

Monte Carlo And Experimental Analysis Of A Novel Directional Rotating Scatter Mask Gamma Detection System, Julie V. Logan, Darren E. Holland, Larry W. Burggraf, Justin A. Clinton, Buckley E. O'Day Iii

Faculty Publications

Excerpt: This work demonstrates successful experimental operation of a prototype system to identify source direction which was modeled using a library of signals simulated using GEANT and a novel algorithm....

Pesticide Seed Treatments Containing Neonicotinoids Have Limited Effect On Soil Microbial Community Structure Under Different Tillage Regimes, Jessica E. Mackay, Richard G. Smith, Jessica G. Ernakovich, Lukas T. Bernhardt

Faculty Publications

Pesticide seed treatments (PST) which contain fungicides and insecticides are commonly used in agriculture; however, little is known about their effect on soil microbial communities and soil health. Neonicotinoids – controversial insecticides which are common in PST – have received criticism due to potential non-target effects. While fungal pathogens need to be moderated, PST have the potential to disturb broader fungal communities which could lead to reduced nutrient cycling and poor soil health. Given the broad use of PST, their effect on soil fungi needs to be studied within the context of other agricultural management practices. For example, tillage regimes …

Search For B− → Λp⊽ ⊽ With The Babar Experiment, J. P. Lees, V. Poireau, V. Tisserand, E. Grauges, A. Palano, G. Eigen, D. N. Brown, Yu G. Kolomensky, M. Fritsch, H. Koch, T. Schroeder, R. Cheaib, C. Hearty, T. S. Mattison, J. A. Mckenna, R. Y. So, V. E. Blinov, A. R. Buzykaev, V. P. Druzhinin, Milind Purohit, Et. Al.

Faculty Publications

A search for the rare flavor-changing neutral current process B− → Λp̅ νv̅ using data from the BABAR experiment has been performed. A total of 424 fb⁻¹ of e⁺e⁻ collision data collected at the center-of-mass energy of the ϒ(4S) resonance is used in this study, corresponding to a sample of (471 ± 3) × 10⁶ BB̅ pairs. Signal B− → Λp̅ νv̅ candidates are identified by first fully reconstructing a B⁺ decay in one of many possible exclusive decays to hadronic final states, then examining detector activity that is not associated with …

Importance Of Refractory Ligands And Their Photodegradation For Iron Oceanic Inventories And Cycling, Christel Hassler, Damien Cabanes, Sonia Blanco-Ameijeiras, Sylvia G. Sander, Ronald Benner

Faculty Publications

Iron is an essential micronutrient that limits primary production in up to 40% of the surface ocean and influences carbon dioxide uptake and climate change. Dissolved iron is mostly associated with loosely characterised organic molecules, called ligands, which define key aspects of the iron cycle such as its residence time, distribution and bioavailability to plankton. Models based on in situ ligand distributions and the behaviour of purified compounds include long-lived ligands in the deep ocean, bioreactive ligands in the surface ocean and photochemical processes as important components of the iron cycle. Herein, we further characterise biologically refractory ligands in dissolved …

Deep Donors And Acceptors In Β-Ga2O3 Crystals: Determination Of The Fe2+/3+ Level By A Noncontact Method, Christopher A. Lenyk, Trevor A . Gustafson, Larry E. Halliburton, Nancy C. Giles

Faculty Publications

Electron paramagnetic resonance (EPR), infrared absorption, and thermoluminescence (TL) are used to determine the Fe^2+/3+ level in Fe-doped β-Ga₂O₃ crystals. With these noncontact spectroscopy methods, a value of 0.84 ± 0.05 eV below the conduction band is obtained for this level. Our results clearly establish that the E2 level observed in deep level transient spectroscopy (DLTS) experiments is due to the thermal release of electrons from Fe²⁺ ions. The crystals used in this investigation were grown by the Czochralski method and contained large concentrations of Fe acceptors and Ir donors, and trace amounts of Cr …

Analytic Non-Adiabatic Derivative Coupling Terms For Spin-Orbit Mrci Wavefunctions. Ii. Derivative Coupling Terms And Coupling Angle For Khe (A2Π1/2) ⇔ Khe B2Σ1/2), Lachlan T. Belcher, Charlton D. Lewis, Gary S. Kedziora, David E. Weeks

Faculty Publications

A method for calculating the analytic nonadiabatic derivative coupling terms (DCTs) for spin-orbit multi-reference configuration interaction wavefunctions is reviewed. The results of a sample calculation using a Stuttgart basis for KHe are presented. Additionally, the DCTs are compared with a simple calculation based on the Nikitin’s 3 × 3 description of the coupling between the Σ and Π surfaces, as well as a method based on Werner’s analysis of configuration interaction coefficients. The nonadiabatic coupling angle calculated by integrating the radial analytic DCTs using these different techniques matches extremely well. The resultant nonadiabatic energy surfaces for KHe are presented.

E700xd Portable Doppler Radar Energy Systems Analysis, Brandon M. Bailey [*], Torrey J. Wagner, Jada Williams

Faculty Publications

Occurring in industrialized nations, inexpensive and abundantly available power is routinely taken for granted. However, energy resilience and to a lesser extent price are key concerns when considering potential solutions for disaster response, disaster relief, or military operations. The Department of Defense (DoD) currently uses a 5 kW generator to power the E700XD portable Doppler radar system when grid power is unavailable [1]. While the radar has an approximate power consumption of 2.5 kW, there is a potential for higher demand due to weather conditions [2]. This paper examines the cost of operating a currently installed generator, compared to the …

Dynamic Accretion Beneath A Slow-Spreading Ridge Segment: Iodp Hole 1473a And The Atlantis Bank Oceanic Core Complex, Henry J.B. Dick, Christopher J. Macleod, Peter Blum, Natsue Abe, Donna K. Blackman, Julie A. Bowles, M.J. Cheadle, K. Cho, Jakub Ciazela, Jeremy Deans, Virginia P. Edgcomb, C. Ferrando, Lyderic France, B. Ghosh, Benoit Ildefonse, Barbara John, Mark A. Kendrick, J. Koepke, James A.M. Leong, C. Liu, Q. Ma, T. Morishita, A. Morris, J.H. Natland, T. Nozaka, O. Pluemper, A. Sanflippo, J.B. Sylvan, Maurice A. Tivey, R. Tribuzio, G. Viegas

Faculty Publications

809 deep IODP Hole U1473A at Atlantis Bank, SWIR, is 2.2 km from 1,508‐m Hole 735B and 1.4 from 158‐m Hole 1105A. With mapping, it provides the first 3‐D view of the upper levels of a 660‐km² lower crustal batholith. It is laterally and vertically zoned, representing a complex interplay of cyclic intrusion, and ongoing deformation, with kilometer‐scale upward and lateral migration of interstial melt. Transform wall dives over the gabbro‐peridotite contact found only evolved gabbro intruded directly into the mantle near the transform. There was no high‐level melt lens, rather the gabbros crystallized at depth, and then emplaced …

Generating Electromagnetic Nonuniformly Correlated Beams, Milo W. Hyde Iv, Xifeng Xiao, David G. Voelz

Faculty Publications

We develop a method to generate electromagnetic nonuniformly correlated (ENUC) sources from vector Gaussian Schell-model (GSM) beams. Having spatially varying correlation properties, ENUC sources are more difficult to synthesize than their Schell-model counterparts (which can be generated by filtering circular complex Gaussian random numbers) and, in past work, have only been realized using Cholesky decomposition—a computationally intensive procedure. Here we transform electromagnetic GSM field instances directly into ENUC instances, thereby avoiding computing Cholesky factors resulting in significant savings in time and computing resources. We validate our method by generating (via simulation) an ENUC beam with desired parameters. We find the …

Tidal Destruction In A Low-Mass Galaxy Environment: The Discovery Of Tidal Tails Around Ddo 44, Jeffrey Carlin, Christopher Garling, Annika Peter, Denija Crnojević, Duncan Forbes, Jonathan Hargis, Burçin Mutlu-Pakdil, Ragadeepika Pucha, Aaron Romanowsky, David Sand, Kristine Spekkens, Jay Strader, Beth Willman

Faculty Publications

We report the discovery of a 1° (~50 kpc) long stellar tidal stream emanating from the dwarf galaxy DDO 44, a likely satellite of Local Volume galaxy NGC 2403 located ~70 kpc in projection from its companion. NGC 2403 is a roughly Large Magellanic Cloud (LMC) stellar-mass galaxy 3 Mpc away, residing at the outer limits of the M81 group. We are mapping a large region around NGC 2403 as part of our Magellanic Analogs' Dwarf Companions and Stellar Halos survey, reaching point-source depths (90% completeness) of (g, i) = (26.5, 26.2). Density maps of old, metal-poor RGB stars reveal …

Gamma-Ray Radiation Effects In Graphene-Based Transistors With H-Bn Nanometer Film Substrates, E. J. Cazalas, Michael R. Hogsed, S. R. Vangala, Michael R. Snure, John W. Mcclory

Faculty Publications

Radiation effects on graphene field effect transistors (GFETs) with hexagonal boron nitride (h-BN) thin film substrates are investigated using 60Co gamma-ray radiation. This study examines the radiation response using many samples with varying h-BN film thicknesses (1.6 and 20 nm thickness) and graphene channel lengths (5 and 10 μm). These samples were exposed to a total ionizing dose of approximately 1 Mrad(Si). I-V measurements were taken at fixed time intervals between irradiations and postirradiation. Dirac point voltage and current are extracted from the I-V measurements, as well as mobility, Dirac voltage hysteresis, and the total number of GFETs that remain …

Polyphase Equiangular Tight Frames And Abelian Generalized Quadrangles, Matthew C. Fickus, John Jasper, Dustin G. Mixon, Jesse D. Peterson, Cody E. Watson

Faculty Publications

An equiangular tight frame (ETF) is a type of optimal packing of lines in a finite-dimensional Hilbert space. ETFs arise in various applications, such as waveform design for wireless communication, compressed sensing, quantum information theory and algebraic coding theory. In a recent paper, signature matrices of ETFs were constructed from abelian distance regular covers of complete graphs. We extend this work, constructing ETF synthesis operators from abelian generalized quadrangles, and vice versa. This produces a new infinite family of complex ETFs as well as a new proof of the existence of certain generalized quadrangles. This work involves designing matrices whose …

Effect Of Ar(3p54p; 2p)+M -> Ar(3p54s; 1s)+M Branching Ratio On Optically Pumped Rare Gas Laser Performance, Daniel J. Emmons Ii, David E. Weeks

Faculty Publications

Optically pumped rare gas laser performance is analyzed as a function of the Ar(3p⁵4p; 2p) + M → Ar(3p⁵4s; 1s) + M branching ratios. Due to the uncertainty in the branching ratios, a sensitivity study is performed to determine the effect on output and absorbed pump laser intensities. The analysis is performed using a radio frequency dielectric barrier discharge as the source of metastable production for a variety of Argon in Helium mixtures over pressures ranging from 200 to 500 Torr. Peak output laser intensities show a factor of 7 increase as the branching ratio is …

Conformational Polymorphism In Organic Crystals: Structural And Functional Aspects - A Review, Bidisha Sengupta, Pradeep K. Sengupta, Romans Grant1, Matthew Beasley1, Benjamin Mason1, Tanesha Love1, Larissa Barroso9, Mariela Alvarado9, M S. Zaman

Faculty Publications

Polymorphism in organic crystals involves the formation of isomeric molecular identities. It is dependent on the structural arrangement due to inter-atomic interactions, as well as external stimuli, which include temperature, visible and UV radiation. Conformational polymorphism of organic crystalline molecules is often the result of isomerism due to the twisting and turning of angular bonds. The arrangement of the atoms supports different types of bonding mechanisms (which include hydrogen bonding) within the same compound. This, in turn, results in the formation of cis/trans configurational isomers or a proton transfer species (tautomer), having different functional properties. The conformers support the flexibility …

@Houstonpolice: An Exploratory Case Of Twitter During Hurricane Harvey, Seungwon Yang, Brenton Stewart

Faculty Publications

Abstract

Purpose

The purpose of this paper is to examine the Houston Police Department (HPD)’s public engagement efforts using Twitter during Hurricane Harvey, which was a large-scale urban crisis event.

Design/methodology/approach

This study harvested a corpus of over 13,000 tweets using Twitter’s streaming API, across three phases of the Hurricane Harvey event: preparedness, response and recovery. Both text and social network analysis (SNA) techniques were employed including word clouds, n-gram analysis and eigenvector centrality to analyze data.

Findings

Findings indicate that departmental tweets coalesced around topics of protocol, reassurance and community resilience. Twitter accounts of governmental agencies, such as …

Search For Gravitational-Wave Signals Associated With Gamma-Ray Bursts During The Second Observing Run Of Advanced Ligo And Advanced Virgo, Tiffany Summerscales, Ligo Scientific Collaboration And The Virgo Collaboration

Faculty Publications

We present the results of targeted searches for gravitational-wave transients associated with gamma-ray bursts during the second observing run of Advanced LIGO and Advanced Virgo, which took place from 2016 November to 2017 August. We have analyzed 98 gamma-ray bursts using an unmodeled search method that searches for generic transient gravitational waves and 42 with a modeled search method that targets compact-binary mergers as progenitors of short gamma-ray bursts. Both methods clearly detect the previously reported binary merger signal GW170817, with p-values of <9.38 × 10⁻⁶ (modeled) and 3.1 × 10⁻⁴ (unmodeled). We do not find any significant evidence for …

Tests Of General Relativity With The Binary Black Hole Signals From The Ligo-Virgo Catalog Gwtc-1, Tiffany Summerscales, Ligo Scientific Collaboration And The Virgo Collaboration

Faculty Publications

The detection of gravitational waves by Advanced LIGO and Advanced Virgo provides an opportunity to test general relativity in a regime that is inaccessible to traditional astronomical observations and laboratory tests. We present four tests of the consistency of the data with binary black hole gravitational waveforms predicted by general relativity. One test subtracts the best-fit waveform from the data and checks the consistency of the residual with detector noise. The second test checks the consistency of the low- and high-frequency parts of the observed signals. The third test checks that phenomenological deviations introduced in the waveform model (including in …

Simultaneous Enhancement Of Near-Infrared Emission And Dye Photodegradation In A Racemic Aspartic Acid Compound Via Metal-Ion Modification, Frank R. Fronczek, Jian Xu

Faculty Publications

Changing functionalities of materials using simple methods is an active area of research, as it is "green" and lowers the developing cost of new products for the enterprises. A new small molecule racemic N,N-dimethyl aspartic acid has been prepared. Its structure is determined by single-crystal X-ray diffraction. It is characterized by FTIR, XPS, 1 H NMR, and mass spectroscopy. Its near-infrared luminescence can be enhanced by the combination of metal ions, including Dy3+, Gd3+, Nd3+, Er3+, Sr3+, Y3+, Zn2+, Zr4+, Ho3+, Yb3+, La3+, Pr6+/Pr3+, and Sm3+ ions. An optical chemistry mechanism upon interaction between the sensitizer and activator is proposed. …

Simultaneous Enhancement Of Near-Infrared Emission And Dye Photodegradation In A Racemic Aspartic Acid Compound Via Metal-Ion Modification, Frank R. Fronczek, Jian Xu

Faculty Publications

Changing functionalities of materials using simple methods is an active area of research, as it is "green" and lowers the developing cost of new products for the enterprises. A new small molecule racemic N,N-dimethyl aspartic acid has been prepared. Its structure is determined by single-crystal X-ray diffraction. It is characterized by FTIR, XPS, 1 H NMR, and mass spectroscopy. Its near-infrared luminescence can be enhanced by the combination of metal ions, including Dy3+, Gd3+, Nd3+, Er3+, Sr3+, Y3+, Zn2+, Zr4+, Ho3+, Yb3+, La3+, Pr6+/Pr3+, and Sm3+ ions. An optical chemistry mechanism upon interaction between the sensitizer and activator is proposed. …

Machine Learning To Quantitate Neutrophil Netosis, Laila Elsherif, Noah Sciaky, Carrington A. Metts, Md. Modasshir, Ioannis Rekleitis, Christine A. Burris, Joshua A. Walker, Nadeem Ramadan, Tina M. Leisner, Stephen P. Holly, Martis W. Cowles, Kenneth I. Ataga, Joshua N. Cooper, Leslie V. Parise

Faculty Publications

We introduce machine learning (ML) to perform classifcation and quantitation of images of nuclei from human blood neutrophils. Here we assessed the use of convolutional neural networks (CNNs) using free, open source software to accurately quantitate neutrophil NETosis, a recently discovered process involved in multiple human diseases. CNNs achieved >94% in performance accuracy in diferentiating NETotic from non-NETotic cells and vastly facilitated dose-response analysis and screening of the NETotic response in neutrophils from patients. Using only features learned from nuclear morphology, CNNs can distinguish between NETosis and necrosis and between distinct NETosis signaling pathways, making them a precise tool for …

Evolution Of A Relativistic Electron Beam For Tracing Magnetospheric Field Lines, Andrew T. Powis, Peter Porazik, Michael Greklek-Mckeon, Kailas Amin, David Shaw, Igor D. Kaganovich, Jay R. Johnson, Ennio Sanchez

Faculty Publications

Tracing magnetic field-lines of the Earth's magnetosphere using beams of relativistic electrons will open up new insights into space weather and magnetospheric physics. Analytic models and a single-particle-motion code were used to explore the dynamics of an electron beam emitted from an orbiting satellite and propagating until impact with the Earth. The impact location of the beam on the upper atmosphere is strongly influenced by magnetospheric conditions, shifting up to several degrees in latitude between different phases of a simulated storm. The beam density cross-section evolves due to cyclotron motion of the beam centroid and oscillations of the beam envelope. …

Spatially Resolved Stellar Kinematics Of The Ultra-Diffuse Galaxy Dragonfly 44. Ii. Constraints On Fuzzy Dark Matter, Asher Wasserman, Pieter Van Dokkum, Aaron Romanowsky, Jean Brodie, Shany Danieli, Duncan Forbes, Roberto Abraham, Christopher Martin, Matt Matuszewski, Alexa Villaume, John Tamanas, Stefano Profumo

Faculty Publications

Given the absence of directly detected dark matter (DM) as weakly interacting massive particles, there is strong interest in the possibility that DM is an ultralight scalar field, here denoted as "fuzzy" DM. Ultra-diffuse galaxies, with the sizes of giant galaxies and the luminosities of dwarf galaxies, have a wide range of DM halo masses, thus providing new opportunities for exploring the connections between galaxies and their DM halos. Following up on new integral field unit spectroscopic observations and dynamics modeling of the DM-dominated ultra-diffuse galaxy Dragonfly 44 in the outskirts of the Coma Cluster, we present models of fuzzy …

Stretchable Self-Healable Semiconducting Polymer Film For Active-Matrix Strain-Sensing Array, Jin Young Oh, Donghee Son, Toru Katsumata, Yeongjun Lee, Yeongin Kim, Jeffrey Lopez, Hung-Chin Wu, Jiheong Kang, Joonsuk Park, Xiaodan Gu, Jaewan Mun, Nathan Ging-Ji Wang, Yikai Yin, Wei Cai, Youngjun Yun, Jeffrey B.-H. Tok, Zhenan Bao

Faculty Publications

Skin-like sensory devidces shoud be stretchable and self-healable to meet the demands for future electronic skin applications. Despite recent notable advances in skin-inspired electronic materials, it remains challenging to confer these desired functionalities to an active semiconductor. Here, we report a strain-sensitive, stretchable, and autonomously self-healable semiconducting film achieved through blending of a polymer semiconductor and a self-healable elastomer, both of which are dynamically cross-linked by metal coordination. We observed that by controlling the percolation threshold of the polymer semiconductor, the blend film became strain sensitive, with a gauge factor of 5.75 x 10⁵ at 100% strain in a …

Gulf Of Mexico Hypoxia: Past, Present, And Future, Nancy N. Rabalais, R. Eugene Turner

Faculty Publications

One of the largest human-caused areas of bottom-water oxygen deficiency in the coastal ocean is on the northern Gulf of Mexico continental shelf adjacent to the Mississippi River, which discharges nitrogen and phosphorus loads into its surface waters. The beginnings of seasonal hypoxia (≤2 mg l−1 dissolved oxygen) in this area was in the 1950s with an acceleration in the worsening of severity during the 1970s. Currently, the bottom area of hypoxic areas can approach 23,000 km2, and the volume, 140 km3. Ecosystems, people, and economies are now at risk within the Mississippi River watershed and in the northern Gulf …

Grids & Datums, Clifford J. Mugnier

Faculty Publications

No abstract provided.

Integrating Geochronologic And Instrumental Approaches Across The Bengal Basin, Carol Wilson

Faculty Publications

Constraining time is of critical importance to evaluating the rates and relative contributions of processes driving landscape change in sedimentary basins. The geomorphic character of the field setting guides the application of geochronologic or instrumental tools to this problem, because the viability of methods can be highly influenced by geomorphic attributes. For example, sediment yield and the linked potential for organic preservation may govern the usefulness of radiocarbon dating. Similarly, the rate of sediment transport from source to sink may determine the maturity and/or light exposure of mineral grains arriving in the delta and thus the feasibility of luminescence dating. …

Emergent Functional Behaviour Of Humic Substances Perceived As Complex Labile Aggregates Of Small Organic Molecules And Oligomers, Robert L. Cook

Faculty Publications

The structural organisation of humic substances (HS) has been a central question of earth sciences for several decades. The latest experimental results have led to the recognition of HS as complex mixtures of small molecules and oligomers. We investigate the correlation between the chemical composition of HS, perceived as labile aggregates, and the emergent functions. Computational modelling was used to help to understand the processes and mechanisms on the molecular scale that occur in different fractions of the HS, fulvic acids (FA) and humic acids (HA), as they interact with metal ions and organic pollutants. The importance of non-covalent interactions …