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At least 73 records · Page 4

Microfracture-pore structure characterization and water-rock interaction in three lithofacies of the Lower Eagle Ford Formation

The microfracture-pore structures and water-rock interactions of eight samples of three typical lithofacies (three limestone, three wackestone, and two mudstone) from the Lower Eagle Ford Formation have been investigated using an integrated methodology. The methods used were X-ray diffraction (XRD), total organic carbon (TOC) content, pyrolysis, thin-section petrography, scanning electron microscopy (SEM), mercury intrusion porosimetry (MIP), spontaneous water imbibition, and water vapor & nitrogen physisorption. Petrophysical properties such as organic richness, maturity, mineral composition, types and patterns of microfractures and pores, porosity, pore-throat size distribution, pore size distribution, pore connectivity, water adsorption and desorption behavior were determined from these methods, and the results compared among the three lithofacies. For example, the three limestone EAS samples and three wackestone DM samples show a low porosity range from 2.02–3.35%, whereas the two mudstone VRU samples exhibit a much large average porosity of 11.7% by MIP results. Nitrogen physisorption results show that pore size distributions have a good similarity in N2 adsorption volume for the samples with similar lithology. Microfractures are morphologically divided into seven types, with their definitions & pictorial examples presented and possible formation mechanisms proposed. In addition, the water vapor physisorption behavior and their controlling factors are discussed. Here, the water adsorption capacity shows a positive relationship (R 2 = 0.90) with clay content and a negative relationship (R 2 = 0.99) with carbonate content. In general, this integrated study of microfracture-pore structure characterization and water-rock interaction provides some insights of water vapor adsorption behavior in different lithofacies and whether microfractures could be an important pathway for fluid flow.

58 GEOSCIENCES↗

Correlating the three-dimensional atomic defects and electronic properties of two-dimensional transition metal dichalcogenides

The electronic, optical and chemical properties of two-dimensional transition metal dichalcogenides strongly depend on their three-dimensional atomic structure and crystal defects. Using Re-doped MoS 2 as a model system, here we present scanning atomic electron tomography as a method to determine three-dimensional atomic positions as well as positions of crystal defects such as dopants, vacancies and ripples with a precision down to 4 pm. We further measure the three-dimensional bond distortion and local strain tensor induced by single dopants. By directly offering these experimental three-dimensional atomic coordinates to density functional theory, we obtain more accurate electronic band structures than derived from conventional density functional theory calculations that relies on relaxed three-dimensional atomic coordinates. We anticipate that scanning atomic electron tomography not only will be generally applicable to determine the three-dimensional atomic coordinates of two-dimensional materials, but also will enable ab initio calculations to better predict the physical, chemical and electronic properties of these materials.

36 MATERIALS SCIENCE↗

Shaping effects on scrape-off layer plasma turbulence: A rigorous validation of three-dimensional simulations against TCV measurements

The effect of plasma shaping on scrape-off layer (SOL) plasma turbulence is investigated through a rigorous validation exercise. Two- and three-dimensional simulations of the SOL plasma dynamics in three TCV limited discharges are carried out with the GBS code. These discharges realize an almost circular magnetic equilibrium, an elongated equilibrium, and an elongated equilibrium with negative triangularity. For the three plasma discharges, three simulations are performed, considering (i) a three-dimensional model with an explicit dependence on elongation, triangularity, and the inverse aspect ratio; (ii) a circular three-dimensional model in the infinite aspect ratio limit; and (iii) a two-dimensional model, which assumes a circular magnetic equilibrium in the infinite aspect ratio limit, cold ions, and interchange driven turbulence in the sheath limited regime. Ten validation observables common to simulations and experimental measurements from a reciprocating probe located at the TCV outer midplane are identified, and the agreement between experimental and numerical results relative to each observable is evaluated. The composite metric introduced by Ricci et al. [Phys. Plasmas 18, 032109 (2011)] is then used to assess the overall agreement between simulations and experimental measurements. It is found that the shaping model implemented in GBS improves the description of SOL plasma turbulence, taking into account the impact of elongation and triangularity.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A classical model for three-body interactions in aqueous ionic systems

We present a classical induction model to evaluate the three-body ion–water–water (I–W–W) and water–water–water (W–W–W) interactions in aqueous ionic systems. The classical description of the induction energy is based on electrostatic distributed multipoles up to hexadecapole and distributed polarizabilities up to quadrupole–quadrupole on the O and H atoms of water. The monatomic ions were described by a point charge and a dipole–dipole polarizability, while for the polyatomic ions, distributed multipoles up to hexadecapole and distributed polarizabilities up to quadrupole–quadrupole were used. The accuracy of the classical model is benchmarked against an accurate dataset of 936 (I–W–W) and 2184 (W–W–W) three-body terms for 13 different monatomic and polyatomic cation and anion systems. The classical model shows excellent agreement with the reference second order Moller–Plesset and coupled-cluster single double and perturbative triple [CCSD(T)] three-body energies. The Root-Mean-Square-Errors (RMSEs) for monatomic cations, monatomic anions, and polyatomic ions were 0.29, 0.25, and 0.12 kcal/mol, respectively. The corresponding RMSE for 1744 CCSD(T)/aVTZ three-body (W–W–W) energies, used to train MB-pol, was 0.12 kcal/mol. The accuracy of the proposed classical model demonstrates that the three-body term for aqueous ionic systems can be accurately modeled classically. This approach provides a fast, efficient, and as-accurate path toward modeling the three-body term in aqueous ionic systems that is fully transferable across systems with different ions without the need to fit to tens of thousands of ab initio calculations for each ion to extend existing many-body force fields to interactions between water and ions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Three-Qubit Encoding in Ytterbium-171 Atoms for Simulating 1+1D Quantum Chromodynamics

Simulating nuclear matter described by quantum chromodynamics using quantum computers is notoriously inefficient because of the assortment of quark degrees of freedom such as matter/antimatter, flavor, color, and spin. Here, we propose to address this resource efficiency challenge by encoding three qubits within individual ytterbium-171 atoms of a neutral atom quantum processor. The three qubits are encoded in three distinct sectors: an electronic “clock” transition, the spin-1/2 nucleus, and the lowest two motional states in one radial direction of the harmonic trapping potential. We develop a family of composite sideband pulses and demonstrate a universal gate set and readout protocol for this three-qubit system. We then apply it to single-flavor quantum chromodynamics in 1+1D axial gauge for which the three qubits directly represent the occupancy of quarks in the three colors. We show that two atoms are sufficient to simulate both vacuum persistence oscillations and a screened hadron-number transition. We consider resource requirements and connections to error detection/correction. Our work is a step toward resource-efficient digital simulation of nuclear matter and opens new opportunities for versatile qubit encoding in neutral atom quantum processors.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Analytic continuation of the relativistic three-particle scattering amplitudes

We investigate the relativistic scattering of three identical scalar bosons interacting via pair-wise interactions. Extending techniques from the nonrelativistic three-body scattering theory, we provide a detailed and general prescription for solving and analytically continuing integral equations describing the three-body reactions. We use these techniques to study a system with zero angular momenta described by a single scattering length leading to a bound state in a two-body subchannel. We obtain bound-state-particle and three-particle amplitudes in the previously unexplored kinematical regime; in particular, for real energies below elastic thresholds and complex energies in the physical and unphysical Riemann sheets. We extract positions of three-particle bound-states that agree with previous finite-volume studies, providing further evidence for the consistency of the relativistic finite-volume three-body quantization conditions. We also determine previously unobserved virtual bound states in this theory. Lastly, we find numerical evidence of the breakdown of the two-body finite-volume formalism in the vicinity of the left-hand cuts and argue for the generalization of the existing formalism.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Black Start of Unbalanced Microgrids Harmonizing Single- and Three-Phase Grid-Forming Inverters

As power systems are transforming with increasing penetrations of inverter-based resources (IBRs), system restoration using IBRs has drawn attention. Using distributed grid-forming (GFM) assets located near critical loads, either three-phase or single-phase, to establish microgrid voltages in the absence of a bulk grid, a distribution system could obtain high system survivability. For swift and secure recovery of a critical load in a single-phase lateral, local single-phase GFM inverters can form a microgrid, and then it can be combined with a neighbouring grid with the inverters remaining in GFM mode for voltage and frequency regulation until the bulk grid comes online. It leads to dynamic interoperation of single-phase GFM inverters with three-phase ones in the black start process. This paper studies the novel approach with electromagnetic transient (EMT) simulations. To evaluate the potential and the technical challenges of the heterogeneous IBR-driven black start, three-phase and single-phase GFM inverter models are developed, including negative-sequence control for voltage balance and a phase-by-phase current limiter (three-phase) and current magnitude limiter (single-phase). To examine dynamic aspects of the black-start process, the EMT simulation also models transformer and motor dynamics emulating their inrush and startup behavior as well as network dynamics. Involvement of grid-following assets to facilitate the black-start process is also modeled. By allowing multiple GFM inverters to collectively black start without leader-follower coordination, regardless of phases, a system can achieve extreme resilience. An inverter-driven black start of a heavily unbalanced 2-MVA distribution feeder using 1 three-phase and 3 single-phase GFM inverters is demonstrated. The simulation shows the heterogeneous system can maintain stability with the single-phase GFM dynamics coupled with the three-phase one.

grid-forming inverter↗

Three-beam rotational coherent anti-Stokes Raman spectroscopy thermometry in scattering environments

Three-beam rotational coherent anti-Stokes Raman scattering (CARS) measurements performed in highly scattering environments are susceptible to contamination by two-beam CARS signals generated by the pump–probe and Stokes–probe interactions at the measurement volume. If this occurs, differences in the Raman excitation bandwidth between the two-beam and three-beam CARS signals can add significant errors to the spectral analysis. This interference to the best of our knowledge has not been acknowledged in previous three-beam rotational CARS experiments, but may introduce measurement errors up to 25% depending on the temperature, amount of scattering, and differences between the two-beam and three-beam Raman excitation bandwidths. Here, the presence of two-beam CARS signal contamination was experimentally verified using a femtosecond–picosecond rotational CARS instrument in two scattering environments: (1) a fireball generated by a laboratory-scale explosion that contained particulate matter, metal fragments, and soot, and (2) a flow of air and small liquid droplets. A polarization scheme is presented to overcome this interference. By rotating the pump and Stokes polarizations +55° and –55° from the probe, respectively, the two-beam and three-beam CARS signals are orthogonally polarized and can be separated using a polarization analyzer. Using this polarization arrangement, the Raman-resonant three-beam CARS signal amplitude is reduced by a factor of 2.3 compared to the case where all polarizations are parallel. This method is successfully demonstrated in both scattering environments. A theoretical model is presented, and the temperature measurement error is studied for different experimental conditions. The criteria for when this interference may be present are discussed.

42 ENGINEERING↗

Three-phase differential mode converter

A system for charging a battery includes three sub-modules, each receiving a respective phase of a three-phase alternating current (AC) signal. The three sub-modules cooperate to transform the respective phases of the three-phase AC signal to a direct current (DC) signal by passing the respective phases of the three-phase AC signal through a respective semiconductor device configured to discontinuously modulate the respective phase of the three-phase AC signal to convert it to a DC signal provided to the battery to charge the battery.

Mazumder, Sudip K.↗

Black Start of Unbalanced Microgrids Harmonizing Single- and Three-Phase Grid-Forming Inverters: Preprint

As power systems are transforming with increasing penetrations of inverter-based resources (IBRs), system restoration using IBRs has drawn attention. Using distributed grid-forming (GFM) assets located near critical loads, either three-phase or single-phase, to establish microgrid voltages in the absence of a bulk grid, a distribution system could obtain high system survivability. For swift and secure recovery of a critical load in a single-phase lateral, local single-phase GFM inverters can form a microgrid, and then it can be combined with a neighbouring grid with the inverters remaining in GFM mode for voltage and frequency regulation until the bulk grid comes online. It leads to dynamic interoperation of single-phase GFM inverters with three-phase ones in the black start process. This paper studies the novel approach with electromagnetic transient (EMT) simulations. To evaluate the potential and the technical challenges of the heterogeneous IBR-driven black start, three-phase and single-phase GFM inverter models are developed, including negative-sequence control for voltage balance and a phase-by-phase current limiter (three-phase) and current magnitude limiter (single-phase). To examine dynamic aspects of the black-start process, the EMT simulation also models transformer and motor dynamics emulating their inrush and startup behavior as well as network dynamics. Involvement of grid-following assets to facilitate the black-start process is also modeled. By allowing multiple GFM inverters to collectively black start without leader-follower coordination, regardless of phases, a system can achieve extreme resilience. An inverter-driven black start of a heavily unbalanced 2-MVA distribution feeder using 1 three-phase and 3 single-phase GFM inverters is demonstrated. The simulation shows the heterogeneous system can maintain stability with the single-phase GFM dynamics coupled with the three-phase one.

grid-forming inverter↗

Three-phase differential mode converter

A system for charging a battery includes three sub-modules, each receiving a respective phase of a three-phase alternating current (AC) signal. The three sub-modules cooperate to transform the respective phases of the three-phase AC signal to a direct current (DC) signal by passing the respective phases of the three-phase AC signal through a respective semiconductor device configured to discontinuously modulate the respective phase of the three-phase AC signal to convert it to a DC signal provided to the battery to charge the battery.

Mazumder, Sudip K.↗

Computational approaches for three-nucleon systems

Highlights: • Pedagogical review on the computational aspects of the three-nucleon system. • Detailed numerical steps for solving the three-body problem. • Three-nucleon binding and scattering for two different separable potentials. • Triton binding with partial-wave projected chiral potentials. We revisit the three-nucleon system with two kinds of nucleon–nucleon interactions: separable potentials and chiral forces, showing the computational aspects in detail. We start with S-wave separable potentials for which there are simplified forms for the Faddeev equations describing the scattering and binding of three nucleons. We then discuss the partial-wave projected case with a chiral potential considering only one channel so that the computational details can be clearly shown.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

X‐ray characterization of three possible edible oleogelators: Experiment and theory

Abstract Three oleogelator molecules (Triacontane (TC), Stearic acid (SA), and Behenyl Lignocerate (BL)) were studied individually, in pairs, or all together to make an oleogel using triolein as the oil. WAXS, SAXS and USAXS were used to elucidate the solid structures from angstroms to a few micrometers. A two‐dimensional mapping of atomic positions for each molecule was carried out to understand the crystalline multilayer structures formed. We assumed that the molecules were rigidly extended and that they underwent no significant (hindered) rotations so that the free energy is determined by the Lennard‐Jones interactions of closely packed multilayers. TC molecules were predicted to form a tilt angle of , yielding a SAXS line at Å ─1 , in acceptable agreement with the measured . For SA crystals (predicted) yielding a SAXS line at compared to (observed). No mixed crystals were observed for any pair of molecules or when all three were used. USAXS data showed that SA forms large nanocrystals compared to TC and BL. All three combinations of molecular pairs showed basic scatterers smaller or similar to those of individual molecules. The theory presented here, together with the experimental results, showed why no mixed crystals are formed from two or all three molecules. Data from the USAXS region suggested that, when using all three molecules, a more compact fractal structure was obtained, compared with those if one or two of the molecules were used.

Chemistry↗

Insights into the relation between vertical cloud structure and dynamics of three polar lows: Observations from COMBLE

The vertical structure of three polar lows is described using profiling radar, lidar, and passive remote sensors deployed at a coastal site in northern Norway. The data were collected as part of the Cold-air Outbreaks in the Marine Boundary Layer Experiment (COMBLE). These data are examined in the context of satellite imagery, operational weather radar reflectivity imagery, and output from the AROME-Arctic model. A comparison to satellite images shows that AROME-Arctic captured the polar lows well. All three polar lows form in marine cold-air outbreaks and are surrounded by open-cellular convection typical of such outbreaks. Two of the lows form in a forward shear environment, and one under reverse shear. Initially, the three polar lows are comma-shaped; two of them transition to be more spirali-form at their mature stage and have mostly cloud-free warm cores. The warm cores are the result of a warm-seclusion process. All three lows have stratiform precipitation bands, marked by little cloud liquid water, and rather high surface precipitation rate. The vertical drafts and turbulence in these stratiform clouds are generally weak. In conclusion, all three lows also have convective clouds, which have stronger vertical drafts, stronger turbulence, and pockets of high liquid water content.

54 ENVIRONMENTAL SCIENCES↗

Three-body resonances in the φ 4 theory

We study the properties of three-body resonances using a lattice complex scalar φ4 theory with two scalars, with parameters chosen such that one heavy particle can decay into three light ones. We determine the two- and three-body spectra for several lattice volumes using variational techniques, and then analyze them with two versions of the three-particle finite-volume formalism: the Relativistic Field Theory approach and the Finite-Volume Unitarity approach. We find that both methods provide an equivalent description of the energy levels, and we are able to fit the spectra using simple parametrizations of the scattering quantities. By solving the integral equations of the corresponding three-particle formalisms, we determine the pole position of the resonance in the complex energy plane and thereby its mass and width. We find very good agreement between the two methods at different values of the coupling of the theory.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

The three-pion K -matrix at NLO in ChPT

The three-particle K-matrix, Κ df,3 , is a scheme-dependent quantity that parametrizes short-range three-particle interactions in the relativistic-field-theory three-particle finite-volume formalism. In this work, we compute its value for systems of three pions in all isospin channels through next-to-leading order in Chiral Perturbation Theory, generalizing previous work done at maximum isospin. We obtain analytic expressions through quadratic order (or cubic order, in the case of zero isospin) in the expansion about the three-pion threshold.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

A three-point form factor through five loops

We bootstrap the three-point form factor of the chiral part of the stress­tensor supermultiplet in planar $\mathcal{N}$ = 4 super-Yang-Mills theory, obtaining new results at three, four, and five loops. Our construction employs known conditions on the first, second, and final entries of the symbol, combined with new multiple-final-entry conditions, “extended-Steinmann-like” conditions, and near-collinear data from the recently-developed form factor operator product expansion. Our results are expected to give the maximally transcendental parts of the gg → Hg and H → ggg amplitudes in the heavy-top limit of QCD. At two loops, the extended-Steinmann-like space of functions we describe contains all transcendental functions required for four-point amplitudes with one massive and three massless external legs, and all massless internal lines, including processes such as gg → Hg and γ * → $q\overline{q}g$. We expect the extended-Steinmann-like space to contain these amplitudes at higher loops as well, although not to arbitrarily high loop order. We present evidence that the planar $\mathcal{N}$ = 4 three-point form factor can be placed in an even smaller space of functions, with no independent ζ values at weights two and three.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Generalizing the relativistic quantization condition to include all three-pion isospin channels

We present a generalization of the relativistic, finite-volume, three-particle quantization condition for non-identical pions in isosymmetric QCD. The resulting formalism allows one to use discrete finite-volume energies, determined using lattice QCD, to constrain scattering amplitudes for all possible values of two- and three-pion isospin. As for the case of identical pions considered previously, the result splits into two steps: the first defines a non-perturbative function with roots equal to the allowed energies, E n (L), in a given cubic volume with side-length L. This function depends on an intermediate three-body quantity, denoted K d f , 3 , which can thus be constrained from lattice QCD in- put. The second step is a set of integral equations relating K d f , 3 to the physical scattering amplitude, M 3 . Both of the key relations, En(L) ↔ K d f , 3 and K d f , 3 &#x2194;<!-- ↔ --> M 3 , are shown to be block-diagonal in the basis of definite three-pion isospin, Iπππ , so that one in fact recovers four independent relations, corresponding to Iπππ = 0, 1, 2, 3. We also provide the generalized threshold expansion of K d f , 3 for all channels, as well as parameterizations for all three-pion resonances present for Iπππ = 0 and Iπππ = 1. As an example of the utility of the generalized formalism, we present a toy implementation of the quantization condition for Iπππ = 0, focusing on the quantum numbers of the ω and h 1 resonances.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗