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At least 991 records · Page 55

Generation of random geological models using multi-randomization for machine learning

Generating high-fidelity geological models is essential for advancing machine learning (ML) methods in automated seismic interpretation. For instance, seismic images paired with corresponding fault labels are foundational for ML-based fault detection from seismic migration sections. While several open-access datasets of random geological models exist, open-source tools specifically designed to produce large volumes of such models for ML applications remain scarce. To address this gap, we present RGM (Random Geological Model), an open-source software package for efficiently generating 2D and 3D synthetic geological models tailored for ML workflows. RGM supports the creation of diverse model components, including medium property distributions (P-/S-wave velocities and density), seismic reflectivity images (i.e., synthetic migration sections), relative geological time, and discrete fault attributes such as probability, dip, strike, rake, and displacement. It also accommodates the creation of complex geological features such as salt bodies and unconformities. The model generation algorithm employs a multi-randomization strategy, yielding an effectively infinite-dimensional model space that encompasses a wide range of geological scenarios and associated seismic features. Furthermore, RGM incorporates a method to generate synthetic elastic migration images using analytical elastic reflection coefficients combined with frequency-dependent scaling. This functionality enables the creation of training datasets for ML models that leverage elastic seismic images. RGM is implemented in modern object-oriented Fortran, allowing users to flexibly control statistical parameters governing model variability. We demonstrate the capability, performance, and geological realism of the package through comprehensive 2D and 3D examples.

58 GEOSCIENCES↗

Resonant Raman in armchair graphene nanoribbons from first-principles

Resonant Raman spectra of armchair graphene nanoribbons (AGNRs) are computed using Density Functional Theory (DFT) and third-order perturbation theory. Results are benchmarked against available experimental data and compared to previously used theoretical approaches based on the Placzek approximation. Comparable agreement with experiments is found for both previously and presently used methods. In addition, a numerical analysis is carried out to provide a justification for the resonant modeling method based on the use of the frequency-dependent dielectric tensor in the Placzek approximation. Finally, this work also provides additional predictions and references for wide AGNRs that might be investigated with Raman scattering experiments in the future.

42 ENGINEERING↗

Analyzing acoustic emission data to identify cracking modes in cement paste using an artificial neural network

This research is focused on the identification of cracking mechanisms for cement paste using acoustic emission data, recorded from compression and notched four-point bending tests. A procedure is developed for analyzing the data by employing an agglomerative hierarchical clustering method, an artificial neural network, and a ray-tracing source location algorithm. An agglomerative hierarchical clustering method is utilized to cluster the AE data from a compression test using frequency-dependent features. A neural network is trained using the compression test data and applied to the AE data emitted during the four-point bending test. The clustered data from the four-point bending test is localized using a ray-tracing algorithm. Based on the occurrence and locations of the clustered events and signal feature analyses, potential cracking mechanisms are identified and assigned.

36 MATERIALS SCIENCE↗

Distinguishing interfacial double layer and oxide-based capacitance on gold and pre-oxidized Fe-Cr in 1-ethyl-3-methylimidazolium methanesulfonate room temperature ionic liquid aqueous mixture

The frequency-dependent impedance of a metal/oxide/room temperature ionic liquid (RTIL) interface was separated into oxide layer (C ox ) and double layer (C dl ) capacitances using electrochemical impedance spectroscopy (EIS). A pre-formed oxide of known initial thickness on Fe-20 at.% Cr was investigated in 1-ethyl-3-methylimidazolium methanesulfonate ([Emim][MeSO 3 ]) RTIL + aqueous mixtures. The oxide thickness was calculated from C ox using the complex capacitance representation and the power-law model. The result was additionally verified by cross-sectional analysis using transmission electron microscopy. The C dl calculated from the constant-phase element (CPE) was distinguishable from C ox for Fe-20Cr, which enables monitoring of the interfaces of structural metals with oxide layers in RTILs containing water.

Constant-phase element↗

An equation of state for partially ionized plasmas: The Coulomb contribution to the free energy

We have previously developed an equation of state (EOS) model called ChemEOS (Hakel and Kilcrease, Atomic Processes in Plasmas, Eds., J. Cohen et al., AIP, 2004) for a plasma of interacting ions, atoms and electrons. It is based on a chemical picture of the plasma and is derived from an expression for the Helmholtz free energy of the interacting species. All other equilibrium thermodynamic quantities are then obtained by minimizing this free energy subject to constraints, thus leading to a thermodynamically consistent EOS. The contribution to this free energy from the Coulomb interactions among the particles is treated using the method of Chabrier and Potekhin (Phys. Rev. E 58, 4941 (1998)) which we have adapted for partially ionized plasmas. This treatment is further examined and is found to give rise to unphysical behavior for various elements at certain values of the density and temperature where the Coulomb coupling begins to become significant and the atoms are partially ionized. We examine the source of this unphysical behavior and suggest corrections that produce acceptable results. The sensitivity of the thermodynamic properties and frequency-dependent opacity of iron is examined with and without these corrections. Lastly, the corrected EOS is used to determine the fractional ion populations and level populations for a new generation of OPLIB low-Z opacity tables currently being prepared at Los Alamos National Laboratory with the ATOMIC code.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

On the edge of periodicity: Unconventional magnetism of Gd 117 Co 56.4 Sn 114.3

Magnetization measurements reveal the onset of magnetic ordering at T C = 65 K followed by three additional magnetic anomalies at T 1 = 47 K, T 2 = 28 K, and T 3 = 11 K in Gd 117 Co 56.4 Sn 114.3 – a compound with a giant cubic unit cell that crystallizes in the Dy 117 Co 56 Sn 112 structure type with space group Fm3¯m and lattice parameter a = 30.186 Å. The magnetic ordering temperature increases with applied magnetic field; however, the analysis of magnetic data indicates that antiferromagnetic interactions also play a role in the ground state. AC magnetic susceptibility confirms multiple magnetic anomalies and shows minor frequency dependence. The local magnetic ordering below 60 K is supported by the Mössbauer spectroscopy. A single broad anomaly is detected at T 3 in the heat capacity; we suggest that magnetic domains form below this temperature. Furthermore, these data highlight unique features of magnetism in this and, potentially, other rare-earth intermetallics crystallizing with giant unit-cells where the exchange correlation lengths are much shorter when compared to the periodicity of the crystal lattice.

36 MATERIALS SCIENCE↗

Spatially limited antiferromagnetic order in a cluster glass compound Tb2Ni0.90Si2.94

In the present study, the synthesis of a new ternary intermetallic compound Tb2Ni0:90Si2:94 has been reported. The detailed studies on structure, static and dynamical magnetic properties of the compound have been investigated by means of powder x-ray diffraction, compositional analysis, dc & ac magnetization, non-equilibrium dynamics, heat capacity and neutron diffraction measurements. The dc & ac magnetic susceptibility reveal that the compound undergoes spin cluster-glass behaviour below 9.9 K. The frequency dependence of the freezing temperature have been analyzed on the basis of dynamic scaling laws such as power-law divergence and Vogel-Fulcher law, which further con rm the cluster-glass state formation for the compound. A detailed study on non-equilibrium dynamical behaviour associated with cluster-glass state has been carried out through magnetic relaxation behaviour along with magnetic memory effect in zero-field-cooled (ZFC) as well as field-cooled (FC) conditions and associated aging effect. The zero-field neutron diffraction study reveals the presence of a spatially limited antiferromagnetic phase in addition to the magnetically frustrated cluster-glass state. This result has also been supported through zero-field heat capacity studies. The variation in local electronic environment among the magnetic rare- earth ions caused by the structural disorder associated with Ni/Si ions have been argued to be responsible for the coexistence of different magnetic phases.

36 MATERIALS SCIENCE↗

From a conventional ferromagnetism to a frustrated magnetism: An unexpected role of Fe in Nd(Al 1-x Fe x ) 2 (x ≤ 0.2)

The structure and magnetic properties of Nd(Al 1-x Fe x ) 2 alloys with x = 0, 0.05, 0.1 and 0.2, which adopt cubic MgCu 2 -type structure with space group Fd3¯m, are studied using x-ray powder diffraction, static and dynamic magnetization, and calorimetric measurements. The lattice constant decreases linearly with increasing Fe content from 8.0106(4) Å to 7.9044(4) Å. Large thermal irreversibilities between zero-field-cooled and field-cooled conditions are observed for all substituted samples. Here, the magnetic transition temperatures exhibit a minimum for x = 0.1, and coercive fields at 2 K increase from 70 Oe for x = 0 to 6.3 kOe for x = 0.2. The absence of λ-type peak in the heat capacity data, frequency dependence of ac magnetic susceptibility, and memory effects indicate formation of a cluster-glass magnetic state when x ≥ 0.1.

36 MATERIALS SCIENCE↗

Spectral induced polarization signatures of smoldering remediation enhanced with colloidal activated carbon: An experimental study

Monitoring the remediation of soil and groundwater contaminated by organic compounds remains highly challenging. The spectral induced polarization (SIP) method exhibits significant promise for monitoring changes to the electrical properties of soils that are undergoing remediation. Thermal treatments, such as smoldering combustion, have become established remediation techniques for destroying contaminants. Smoldering combustion is now being supported by colloidal activated carbon (CAC), with CAC able to adsorb contaminants and supplement the fuel source for destroying contaminants. The objective of this study is to investigate the potential of SIP for tracking the smoldering remediation of imitated field soils supplemented with CAC. SIP column experiments were first conducted to assess the response of SIP to varying concentrations of CAC in field soils that contain, or do not contain, organic material (OM). Here these results demonstrate that increasing OM and CAC contents increase both the real and imaginary components of the complex conductivity, with the imaginary conductivity also showing frequency dependence. Next, a suite of smoldering and SIP column experiments was conducted to investigate if SIP can detect changes in imitated field soils of varying OM and CAC contents that have been remediated by smoldering combustion. The SIP results on the examined soils both before and after smoldering show that SIP can detect changes in the real conductivity, and particularly the imaginary conductivity, between different soil compositions and different stages of the remediation process. High resolution scanning electron microscopy (SEM) imaging was performed on all samples to validate the SIP and smoldering experiments, confirming significant reductions in carbon after smoldering. Overall, this study suggests that SIP has potential to detect changes in the electrical properties of field soils due to the addition of remedial fluids like CAC and contaminant destruction by smoldering remediation.

54 ENVIRONMENTAL SCIENCES↗

The effect of boron doping on crystal structure, magnetic properties and magnetocaloric effect of DyCo 2

In this study, the magnetic properties and magnetic entropy changes of DyCo 2 B x (x=0, 0.05, 0.1, and 0.2) alloys were investigated. The Curie temperature (TC) increases with increasing B concentration. The frequency dependence of ac magnetic susceptibility of DyCo 2 caused by the narrow domain wall pinning effect is depressed by B doping, but the coercivity and the magnetic viscosity are prominently increased in the B doped alloys. The magnetic transition nature of DyCo 2 B x changes from the first-order to the second-order with increasing x, which leads to the decrease of the maximum magnetic entropy change. However, the relative cooling power (RCP) of DyCo 2 and the B doped alloys remains nearly constant.

36 MATERIALS SCIENCE↗

Glassy correlated state induced by disorder in the frustrated antiferromagnet Tb 2 Zr 2 O 7

Here, we study the low-temperature thermomagnetic properties of the polycrystalline material Tb 2 Zr 2 O 7 through ac susceptibility and specific heat measurements. This zirconate displays a defect-fluorite structure in which the magnetic Tb 3+ and nonmagnetic Zr 4+ cations sit randomly on the same metal sublattice. No long-range magnetic order is found down to 100 mK, although dominant antiferromagnetic interactions are observed and the spins remain dynamic down to the lowest temperatures investigated. We observed a frequency-dependent peak around 2.5 K which is well described by many models of a canonical spin-glass transition. In-field specific heat measurements and the recovered entropy of the system R ln(4) suggest a two doublets ground state separated by 7 K. Comparisons to the pyrochlores Tb 2 Ti 2 O 7 and Tb 2 Hf 2 O 7 reinforce the collective spin-glass-type behavior and the opening for discussions of an exotic Coulomb phase in this material.

36 MATERIALS SCIENCE↗

Microstructure characterization and electrical transport of nanocrystalline ZrO{sub 2}–CeO{sub 2} solid solution

Graphical abstract: - Highlights: • Monoclinic ZrO{sub 2} phase has been changed to cubic ZrO{sub 2} phase within a short milling. • Conductivity increases due to change of phase from monoclinic to cubic. • A maximum has been observed in the s–T curve. • A transformation from −ve to +ve ac magnetoconductance has been observed. - Abstract: Nanocrystalline ZrO{sub 2}–CeO{sub 2} (ZC) solid solution is synthesized by high energy ball-milling the powder mixture of monoclinic (m) ZrO{sub 2}–10 mol% CeO{sub 2} in air medium. X-ray powder diffraction (XRD) patterns show that the method IS effective to synthesize cubic (c) ZrO{sub 2} phase within a short milling time. Formation mechanism, structural and microstructural changes of different phases and relative phase abundances have been estimated by Rietveld analysis of XRD patterns. The dc conductivity has been enhanced due to monoclinic to cubic phase transformation. A transformation from small polaron hopping to correlated barrier hoping has been observed from the of temperature dependence frequency exponent study. A crossover from negative to positive ac magnetoconductance has been observed at temperature T = 280 K and 230 K for unmilled (ZC0H) and 8 h (ZC8H) milled samples, respectively.

36 MATERIALS SCIENCE↗

Dielectric and ferroelectric properties of Pb{sub 0.88}La{sub 0.12}(Ti{sub 1−x}Mn{sub x}){sub 0.97}O{sub 3} nanoceramics

Graphical abstract: - Highlights: • The nanoceramics of La/Mn modified PbTiO{sub 3} are synthesized by mechano-thermal route. • Materials have been characterized using various experimental methods. • Drastic change in dielectric and electrical properties of PbTiO{sub 3} has been observed. • The high dielectric constant makes the material very promising candidate for DRAM. • The Mn substitution also makes the material useful for piezoelectric devices. - Abstract: The polycrystalline samples of Pb{sub 0.88}La{sub 0.12}(Ti{sub 1−x}Mn{sub x}){sub 0.97}O{sub 3} (x = 0.0, 0.04, 0.07, 0.10) (PLMT) were prepared using a mechano-thermal method. Preliminary structural analysis of the above samples, carried out using X-ray diffraction data, shows tetragonal structure. This study also shows that the basic compound PLT (Pb{sub 0.88}La{sub 0.12}TiO{sub 3}) retains its tetragonal structure even up to 10% of Mn substitution at the Ti-site. The transmission electron micrographs (TEM) of PLMT samples exhibit that materials prepared by the above method are found to be of nano-size. The temperature–frequency dependence of dielectric studies exhibits increase in relative permittivity with rise in Mn-concentration in PLMT, and hence it can make the materials useful for device applications. The temperature dependence of ac conductivity shows presence of different types of charge species. It is also observed that oxygen vacancies play a significant role in the high-temperature conduction-mechanism and dynamics of polarization of the system. Piezoelectric charge coefficient (d{sub 33}) increases with increase in the Mn content in PLMT.

36 MATERIALS SCIENCE↗

Simulation of beam–beam interaction with crab cavities for $\mathrm{LHC}$ upgrade

The crab cavities are a critical component in the high luminosity LHC upgrade project to compensate the luminosity loss from large crossing angle collision. However, these crab cavities will not be perfect in the real accelerator. In this paper, we studied the effects of crab cavity imperfections on colliding beam luminosity lifetime degradation for the LHC upgrade through detailed numerical simulations. Our simulation results suggest that the white noise jitter in the crab cavity RF phase and voltage rms amplitudes should be kept below a few 10 -5 for a good luminosity lifetime, while with frequency-dependent jitter, the amplitudes should be kept below a few 10 -4 for a good lifetime. As a result, the RF multipole errors in the current crab cavity designs are small enough and would not cause extra luminosity degradation.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

A resettable in-line particle concentrator using AC electrokinetics for distributed monitoring of microalgae in source waters

Green algae have been studied as an important and effective biomarker to indicate water quality due to their sensitivity to toxic agents in freshwater sources. But, conventional methods to monitor algal physiology use a chlorophyll fluorometer whose use is hampered by high-cost, large footprint, and limited sensitivity for practical samples containing low algal concentration. In order to overcome these constraints, we developed a multi-level electrode platform for resettable trapping of algae via AC electro-osmosis (ACEO) and negative dielectrophoresis. Preliminary experiments were performed in freshwater with conductivity of 0.02 S/m. Algal trapping was demonstrated at a low voltage of 2 V. The concentration effect was experimentally verified by measuring the fluorescence intensity of algae and using hemocytometer counting chambers at the inlet and outlet of the multilevel microchannel lab-on-a-chip. An optimal frequency was found for trapping, which agrees with the frequency dependence of ACEO flow velocity. Through-flow rate and electrode dimensions were optimized as well. Trapping efficiencies within the range of 26% - 65% have been obtained. A maximum trapping rate of 182 cells/s was obtained with a flow rate of 20 l/min. Our lab-on-a-chip shows high potential for improving the limit of detection in algal monitoring and enabling the development of a portable, integrated and automated system for monitoring the quality of source drinking waters.

30 DIRECT ENERGY CONVERSION↗

Simple and versatile UV-ozone oxide for silicon solar cell applications

Semiconductor surface clean is sometimes perceived as costly but long recognized as pivotal in determining the final semiconductor device performance and yield. In this contribution, we investigated the effectiveness of crystalline silicon surface cleaning by a simple UV-ozone process in comparison to the industry standard RCA clean for silicon photovoltaic applications. We present a unique method of processing the silicon surface effectively by UV-ozone cleaning. Despite being simple, UV-ozone cleaning results in a superior surface passivation quality that is comparable to high-quality RCA clean. When used as a stack dielectric—UV-ozone oxide overlaid by aluminum oxide—the thickness of UV-ozone oxide plays an important role in determining the passivation quality. Of all treatment times, 15 min of UV-ozone treatment results in an outstanding passivation quality, achieving the effective carrier lifetime of 3 ms and saturation current density of 5 fA/cm 2 . In addition, we present a simple and effective technique to extract values of electron/hole capture cross-section for the purpose of analyzing the interface passivation quality from already measured surface recombination parameters of saturation current density, interfacial trap density and total fixed charge, instead of measuring on the separately prepared metal-insulated-semiconductor (MIS) samples by the techniques: frequency-dependent parallel conductance or deep-level transient spectroscopy.

14 SOLAR ENERGY↗