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At least 865 records · Page 48

Laser-to-hot-electron conversion limitations in relativistic laser matter interactions due to multi-picosecond dynamics

High-energy short-pulse lasers are pushing the limits of plasma-based particle acceleration, x-ray generation, and high-harmonic generation by creating strong electromagnetic fields at the laser focus where electrons are being accelerated to relativistic velocities. Understanding the relativistic electron dynamics is key for an accurate interpretation of measurements. We present a unified and self-consistent modeling approach in quantitative agreement with measurements and differing trends across multiple target types acquired from two separate laser systems, which differ only in their nanosecond to picosecond-scale rising edge. Insights from high-fidelity modeling of laser-plasma interaction demonstrate that the ps-scale, orders of magnitude weaker rising edge of the main pulse measurably alters target evolution and relativistic electron generation compared to idealized pulse shapes. This can lead for instance to the experimentally observed difference between 45 MeV and 75 MeV maximum energy protons for two nominally identical laser shots, due to ps-scale prepulse variations. Our results indicate that the realistic inclusion of temporal laser pulse profiles in modeling efforts is required if predictive capability and extrapolation are sought for future target and laser designs or for other relativistic laser ion acceleration schemes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Electroanalytical Investigation of the Electrode–Electrolyte Interface of Quaternary Ammonium Ionic Liquids: Impact of Alkyl Chain Length and Ether Functionality

The influence of ionic associations and potential-dependent interactions on the electrode–electrolyte interfacial structure of ionic liquids (ILs) is studied by electrochemical impedance spectroscopy (EIS) and surface-enhanced Raman spectroscopy (SERS) for a variety of asymmetric quaternary ammonium ILs. Specifically, the impact of cation alkyl chain length (C = 4, 8 and 16) and ether functionality on the interfacial structuring of ILs at the glassy carbon electrode surface is examined. Ammonium cations with alkyl chain length of 8 and 16 carbons are found to stabilize the formation of the bis(trifluorosulfonyl)imide, [TFSI], anion dense Stern layer at positive electrode potentials leading to larger capacitances. The longer alkyl chain of the cation is believed to screen the ion–ion repulsion among the anions by intruding into the interfacial anion layer. SERS suggests the presence of carbon-containing rings at the interface at both positive and negative electrode potentials, which can be explained by the buckling of the long alkyl chains. Inclusion of an ether functionality allowed for more symmetry in the camel-shaped potential-dependent differential capacitance curves, suggesting similar excess ion density at both positive and negative potentials. This work contributes to understanding and predicting the interfacial electrode capacitance in ILs by understanding the balance of ionic interactions and the associated repulsions at electrode–electrolyte interfaces that are pertinent to electrochemical energy storage, electrocatalysis, and electrochemical sensors.

25 ENERGY STORAGE↗

A theoretical and experimental study of pressure broadening of the oxygen A-band by helium

The rotationally resolved magnetic dipole absorption spectrum of the oxygen A-band b{sup 1}Σ{sub g}{sup +}(v=0)←X{sup 3}Σ{sub g}{sup −}(v=0) perturbed by collisions with helium was studied theoretically using the impact approximation. To calculate the relaxation matrix, scattering calculations were performed on a newly computed helium-oxygen (b{sup 1}Σ{sub g}{sup +}) interaction potential as well as on a helium-oxygen (X{sup 3}Σ{sub g}{sup −}) interaction potential from the literature. The calculated integrated line cross sections and broadening coefficients are in good agreement with experimental results from the literature. Additionally, cavity ring-down experiments were performed in the wings of the spectral lines for a quantitative study of line-mixing, i.e., the redistribution of rotational line intensities by helium-oxygen collisions. It is shown that inclusion of line-mixing in the theory is required to reproduce the experimentally determined absolute absorption strengths as a function of the density of the helium gas.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Geocoronal structure. II - Inclusion of a magnetic dipolar plasmasphere

Calculations of exospheric quantities (hydrogen atom density, satellite atom fractional density, kinetic temperature, and escape flux) at locations along the earth-sun axis in the noon and midnight directions have been extended to incorporate a plasmasphere characterized by a dipolar shape and an empirical temperature profile. This interaction, evaluated with parameter values corresponding to low-to-moderate solar conditions, results in an increased density at outer geocoronal positions; the effect is not dramatic, though, and the resulting exosphere mimics the evaporative case closely, in spite of the control of trajectory parcel content by charge exchange collisions. A careful discussion of the handling of plasmaspheric charge exchange collisions and solar ionization is included, and the effect on the exospheric kinetic distribution is analyzed in terms of pertinent examples.

Bishop, James↗

Reco level Smin and subsystem Smin: improved global inclusive variables for measuring the new physics mass scale in MET events at hadron colliders

The variable {radical}s{sub min} was originally proposed in [1] as a model-independent, global and fully inclusive measure of the new physics mass scale in missing energy events at hadron colliders. In the original incarnation of {radical}s{sub min}, however, the connection to the new physics mass scale was blurred by the effects of the underlying event, most notably initial state radiation and multiple parton interactions. In this paper we advertize two improved variants of the {radical}s{sub min} variable, which overcome this problem. First we show that by evaluating the {radical}s{sub min} variable at the RECO level, in terms of the reconstructed objects in the event, the effects from the underlying event are significantly diminished and the nice correlation between the peak in the {radical}s{sub min}{sup (reco)} distribution and the new physics mass scale is restored. Secondly, the underlying event problem can be avoided altogether when the {radical}s{sub min} concept is applied to a subsystem of the event which does not involve any QCD jets. We supply an analytic formula for the resulting subsystem {radical}s{sub min}{sup (sub)} variable and show that its peak exhibits the usual correlation with the mass scale of the particles produced in the subsystem. Finally, we contrast {radical}s{sub min} to other popular inclusive variables such as H{sub T}, M{sub Tgen} and M{sub TTgen}. We illustrate our discussion with several examples from supersymmetry, and with dilepton events from top quark pair production.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A discrete dislocation dynamics study of precipitate bypass mechanisms in nickel-based superalloys

Order strengthening in nickel-based superalloys is associated with the extra stress required for dislocations to bypass the $\gamma'$ precipitates distributed in the $\gamma$ matrix. Depending on the operating conditions and microstructure, a rich variety of bypass mechanism has been identified, with various shearing and Orowan looping processes gradually giving way to climb bypass as the operating conditions change from the low/intermediate temperatures and high stress regime, to the high temperature and low stress regime. When anti phase boundary (APB) shearing and Orowan looping mechanisms operate, the classical picture is that, at for a given volume fraction, the bypass mechanism changes from shearing to looping with increased particle size and within a broad coexistence size window. Another possibility, which is supported by indirect experimental evidence, is that a third “hybrid” transition mechanism may operate. Here, in this paper we use discrete dislocation dynamics (DDD) simulations to study dislocation bypass mechanisms in Ni-based superalloys. We develop a new method to compute generalized stacking fault forces in DDD simulations, based on a concept borrowed from complex analysis and known as the winding number of a closed curve about a point. We use this method to study the mechanisms of bypass of a square lattice of spherical $\gamma'$ precipitates by $a/2\langle110\rangle$ {111} edge dislocations, as a function of the precipitates volume fraction and size. We show that not only the hybrid mechanism is possible, but also that it operates as the transition mechanism between the shearing and looping regimes over a wide range of precipitates volume fraction and radii. Based on our simulation results, we propose a simple model for the strength of this mechanism. We also consider the effects of a $\gamma$/$\gamma'$ lattice misfit on the bypass mechanisms, which we approximate by an additional precipitate stress computed according to Eshelby’s inclusion theory. We show that in the shearing and hybrid looping-shearing regimes, a lattice misfit generally results in an increased bypass stress. For sufficiently high lattice misfit, the critical bypass configuration in attractive dislocation-precipitates interactions changes dramatically, and the bypass stress is controlled by the pinning of the trailing dislocation on the exit side of the precipitates, similar to what has been reported in the high-temperature creep literature.

36 MATERIALS SCIENCE↗

Cu-Ce-O mixed oxides from Ce-containing layered double hydroxide precursors: Controllable preparation and catalytic performance

Cu/Zn/Al layered double hydroxide (LDH) precursors have been synthesized using an anion exchange method with anionic Ce complexes containing the dipicolinate (pyridine-2,6-dicarboxylate) ligand. Cu-Ce-O mixed oxides were obtained by calcination of the Ce-containing LDHs. The materials were characterized by X-ray diffraction, Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy, thermogravimetry-differential thermal analysis, elemental analysis, and low temperature N{sub 2} adsorption/desorption measurements. The results reveal that the inclusion of Ce has a significant effect on the specific surface area, pore structure, and chemical state of Cu in the resulting Cu-Ce-O mixed metal oxides. The resulting changes in composition and structure, particularly the interactions between Cu and Ce centers, significantly enhance the activity of the Ce-containing materials as catalysts for the oxidation of phenol by hydrogen peroxide. - Graphical Abstract: Cu-Ce-O mixed oxides calcined from [Ce(dipic){sub 3}]{sup 3-}- intercalated Cu/Zn/Al layered double hydroxides were synthesized and displayed good catalytic performances in phenol oxidation due to the Cu-Ce interactions. Highlights: Black-Right-Pointing-Pointer [Ce(dipic){sub 3}]{sup 3-}-intercalated Cu/Zn/Al layered double hydroxides were synthesized. Black-Right-Pointing-Pointer Cu-Ce-O mixed oxides derivated from the LDHs were characterized as catalysts. Black-Right-Pointing-Pointer Presence of Ce influenced physicochemical property and catalytic performance. Black-Right-Pointing-Pointer Cu-Ce interaction was largely responsible for enhanced catalytic ability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Nucleon resonances and spin structure

The inclusive structure function g2 which is extracted from doubly polarized lepton scattering is relatively unknown. But due to its fundamental nature, knowledge of g2 is needed in a wide field of topics, ranging from understanding quark-gluon interactions in QCD confined systems, to calculations of energy levels in QED bound states. We discuss recent results on g2 from the JLab spin structure program and give a perspective on upcoming experiments.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Modeling single molecule junction mechanics as a probe of interface bonding

Using the atomic force microscope based break junction approach, applicable to metal point contacts and single molecule junctions, measurements can be repeated thousands of times resulting in rich data sets characterizing the properties of an ensemble of nanoscale junction structures. This paper focuses on the relationship between the measured force extension characteristics including bond rupture and the properties of the interface bonds in the junction. We analyzed a set of exemplary model junction structures using density functional theory based calculations to simulate the adiabatic potential surface that governs the junction elongation. The junction structures include representative molecules that bond to the electrodes through amine, methylsulfide, and pyridine links. The force extension characteristics are shown to be most effectively analyzed in a scaled form with maximum sustainable force and the distance between the force zero and force maximum as scale factors. Widely used, two parameter models for chemical bond potential energy versus bond length are found to be nearly identical in scaled form. Furthermore, they fit well to the present calculations of N–Au and S–Au donor-acceptor bonds, provided no other degrees of freedom are allowed to relax. Examination of the reduced problem of a single interface, but including relaxation of atoms proximal to the interface bond, shows that a single-bond potential form renormalized by an effective harmonic potential in series fits well to the calculated results. This, then, allows relatively accurate extraction of the interface bond energy. Analysis of full junction models shows cooperative effects that go beyond the mechanical series inclusion of the second bond in the junction, the spectator bond that does not rupture. Calculations for a series of diaminoalkanes as a function of molecule length indicate that the most important cooperative effect is due to the interactions between the dipoles induced by the donor-acceptor bond formation at the junction interfaces. The force extension characteristic of longer molecules such as diaminooctane, where the dipole interaction effects drop to a negligible level, accurately fit to the renormalized single-bond potential form. Our results suggest that measured force extension characteristics for single molecule junctions could be analyzed with a modified potential form that accounts for the energy stored in deformable mechanical components in series.

36 MATERIALS SCIENCE↗

Genome Sequencing of Cladobotryum protrusum Provides Insights into the Evolution and Pathogenic Mechanisms of the Cobweb Disease Pathogen on Cultivated Mushroom

Cladobotryum protrusum is one of the mycoparasites that cause cobweb disease on cultivated edible mushrooms. However, the molecular mechanisms of evolution and pathogenesis of C. protrusum on mushrooms are largely unknown. Here, we report a high-quality genome sequence of C. protrusum using the single-molecule, real-time sequencing platform of PacBio and perform a comparative analysis with closely related fungi in the family Hypocreaceae. The C. protrusum genome, the first complete genome to be sequenced in the genus Cladobotryum, is 39.09 Mb long, with an N50 of 4.97 Mb, encoding 11,003 proteins. The phylogenomic analysis confirmed its inclusion in Hypocreaceae, with its evolutionary divergence time estimated to be ~170.1 million years ago. The genome encodes a large and diverse set of genes involved in secreted peptidases, carbohydrate-active enzymes, cytochrome P450 enzymes, pathogen–host interactions, mycotoxins, and pigments. Moreover, C. protrusum harbors arrays of genes with the potential to produce bioactive secondary metabolites and stress response-related proteins that are significant for adaptation to hostile environments. Knowledge of the genome will foster a better understanding of the biology of C. protrusum and mycoparasitism in general, as well as help with the development of effective disease control strategies to minimize economic losses from cobweb disease in cultivated edible mushrooms.

60 APPLIED LIFE SCIENCES↗

Joint Factorization of QCD and QED Radiation in Lepton-Hadron Scattering

The factorization theorem plays an important role in the analysis of high energy quantum chromodynamic (QCD) processes, separating the nonperturbative hadronic interaction into the universal parton distribution functions (PDFs) and fragmentation functions (FFs) and the process-dependent interactions into short distance perturbative calculations, with any interference power suppressed. With a virtual photon exchange, lepton-hadron deep inelastic scattering (DIS) provides an electromagnetic hard probe for the partonic structure of colliding hadrons and has played an important role in the development of QCD factorization. However, the collision induced QED radiation can change the momentum of the exchanged but unobserved virtual photon, making the photon-hadron frame, where the factorization formalism for DIS and semi-inclusive DIS (SIDIS) was derived, ill defined. A new analogous factorization approach has been introduced to separate the leading power process-independent QED radiative contributions to the single photon exchange by introducing lepton distribution functions (LDFs) and lepton fragmentation functions (LFFs), while process-dependent effects are perturbatively calculated with large logarithms removed [J. High Energ. Phys. 2021, 157 (2021)]. These LDFs and LFFs are considered global, as they appear in many different interactions, such as e+e-, DIS and SIDIS, so data from experiments can be used to fit and describe these functions across a wide range of lepton scattering. In this work, I will apply this new hybrid factorization approach to lepton-hadron DIS and SIDIS. For DIS, I derive the NLO short distance perturbative contribution to the cross section and demonstrate the effects the QED radiation has on the cross section using this approach using the CTEQ parameterization for the QCD functions. As part of the SIDIS analysis, I study the cross-section in two different kinematic regions: (1) the scattered lepton and observed hadron are not near back-to-back, and (2) they are close to back-to-back, where collinear QCD factorization works for (1) and TMD QCD factorization for (2) while collinear QED factorization works for both. As part of this work, I show the effects on the SIDIS cross section using fixed order calculations for the unpolarized structure function by first showing the effect of the radiative corrections on the main kinematic variables, especially how the internal transverse momentum is significantly correlated to the external angular dependence, and then the unpolarized structure function (or cross section) with matching between the descriptions for low and high transverse momentum. This work will impact the calculations for predictions for data from COMPASS and various Jefferson Lab experiments.

Cammarota, Justin [Univ. of Kentucky, Lexington, K↗

Climate Change Feedbacks from Interactions Between New and Old Carbon

Priming effects, or responses of SOM decomposition rates to inputs of new, labile carbon (C), have the potential to dramatically alter projections of ecosystem C storage. Priming effects occur in most ecosystems, are significant in magnitude, and are highly sensitive to global changes. Nevertheless, our mechanistic understanding of priming effects remains poor, and this has prevented the inclusion of these dynamics into current Earth system models (ESMs). We conducted two manipulative experiments in the field to quantify how priming effects influence SOM dynamics. Specifically, we asked: To what extent do inputs of “new” root-derived carbon (C) influence “older” C in SOM, and are the magnitude and direction of these effects sensitive to climate? We addressed these questions within the Boston-Area Climate Experiment - an old-field ecosystem that has been subjected to three precipitation treatments (ambient, -50%, and +50% of each precipitation event during the growing season) and four warming treatments (from ambient to +4°C) since 2008. In the first experiment, we installed root and fungal ingrowth cores into the plots. Each core was filled with SOM that had an isotopic signature (of its C compounds) that differed from the vegetation in the plots such that inputs of “new” C from roots/fungi could be quantified using the change in isotopic signatures of C in the cores. Further, we used cores with different mesh sizes to isolate root vs. mycorrhizal fungal inputs. We found that belowground C fluxes were dominated by root inputs (as opposed to mycorrhizal inputs), and that root-derived inputs were greatest in the plots subjected to experimental warming. Given that that the warming-induced increase in belowground C flux did not result in a net increase in soil C, we conclude that the warming treatment likely enhanced priming effects in these soils. In the second experiment, we experimentally dripped dissolved organic C compounds into soils in the BACE plots to simulate root-derived C fluxes. Specifically, we constructed artificial roots attached to an automated peristaltic pump to deliver the compounds to soil semi-continuously during the peak of the growing season. We found that changes in exudate quality had small but significant effects on microbial activities, often interacting with N availability and temperature-induced changes. These results further underscore the importance of priming effects, especially under warming conditions. Collectively, our results provide some of the first field-based estimates of how soil moisture and temperature can directly and indirectly alter root-induced changes in SOM dynamics. This exploratory project lays the groundwork for further research on priming that incorporates effects of plant species and microbial communities to global changes. Such information should enable the development of more mechanistic and better predictive models of SOM decomposition under increased greenhouse gas levels, with the ultimate goal of reducing the level of uncertainty in projections of future climate.

54 ENVIRONMENTAL SCIENCES↗

Light-element nucleosynthesis in a molecular cloud interacting with a supernova remnant and the origin of beryllium-10 in the protosolar nebula

The presence of short-lived radionuclides (t {sub 1/2} < 10 Myr) in the early solar system provides important information about the astrophysical environment in which the solar system formed. The discovery of now extinct {sup 10}Be (t {sub 1/2} = 1.4 Myr) in calcium-aluminum-rich inclusions (CAIs) with Fractionation and Unidentified Nuclear isotope anomalies (FUN-CAIs) suggests that a baseline concentration of {sup 10}Be in the early solar system was inherited from the protosolar molecular cloud. In this paper, we investigate various astrophysical contexts for the nonthermal nucleosynthesis of {sup 10}Be by cosmic-ray-induced reactions. We first show that the {sup 10}Be recorded in FUN-CAIs cannot have been produced in situ by irradiation of the FUN-CAIs themselves. We then show that trapping of Galactic cosmic rays (GCRs) in the collapsing presolar cloud core induced a negligible {sup 10}Be contamination of the protosolar nebula, the inferred {sup 10}Be/{sup 9}Be ratio being at least 40 times lower than that recorded in FUN-CAIs ({sup 10}Be/{sup 9}Be ∼ 3 × 10{sup –4}). Irradiation of the presolar molecular cloud by background GCRs produced a steady-state {sup 10}Be/{sup 9}Be ratio ≲ 1.3 × 10{sup –4} at the time of the solar system formation, which suggests that the presolar cloud was irradiated by an additional source of CRs. Considering a detailed model for CR acceleration in a supernova remnant (SNR), we find that the {sup 10}Be abundance recorded in FUN-CAIs can be explained within two alternative scenarios: (1) the irradiation of a giant molecular cloud by CRs produced by ≳ 50 supernovae exploding in a superbubble of hot gas generated by a large star cluster of at least 20,000 members, and (2) the irradiation of the presolar molecular cloud by freshly accelerated CRs escaped from an isolated SNR at the end of the Sedov-Taylor phase. In the second picture, the SNR resulted from the explosion of a massive star that ran away from its parent OB association, expanded during most of its adiabatic phase in an intercloud medium of density of about 1 H-atom cm{sup –3}, and eventually interacted with the presolar molecular cloud only during the radiative stage. This model naturally provides an explanation for the injection of other short-lived radionuclides of stellar origin into the cold presolar molecular cloud ({sup 26}Al, {sup 41}Ca, and {sup 36}Cl) and is in agreement with the solar system originating from the collapse of a molecular cloud shocked by a supernova blast wave.

79 ASTRONOMY AND ASTROPHYSICS↗

Dihadron azimuthal asymmetry and light-quark dipole moments at the Electron-Ion Collider

Here, we propose a novel method to probe light-quark dipole moments by examining the azimuthal asymmetries between a collinear pair of hadrons in semi-inclusive deep inelastic lepton scattering off an unpolarized proton target at the Electron-Ion Collider. These asymmetries provide a means to observe transversely polarized quarks, which arise exclusively from the interference between the dipole and the Standard Model interactions, thereby depending linearly on the dipole couplings. We demonstrate that this novel approach can enhance current constraints on light-quark dipole operators by an order of magnitude, free from contamination of other new physics effects. Furthermore, it allows for a simultaneous determination of both the real and imaginary parts of the dipole couplings, offering a new avenue for investigating potential CP-violating effects at high energies.

dihadron fragmentation↗

COLUMBUS─An Efficient and General Program Package for Ground and Excited State Computations Including Spin–Orbit Couplings and Dynamics

The COLUMBUS program system provides the tools for performing high-level multireference (MR) computations, including the multireference configuration interaction (MRCI) method and its multireference averaged quadratic coupled cluster (MR-AQCC) extension, allowing computations on a wide range of fascinating atomic and molecular systems, including the treatment of open-shells and complicated excited state phenomena. The inclusion of spin−orbit coupling (SOC) directly within the MRCI step enables the description of systems containing heavy elements, such as lanthanides and actinides, whose properties are strongly influenced by SOC. Analytic energy gradients and nonadiabatic couplings at the correlated MRCI level provide the foundation for a variety of dynamics studies, giving insight into ultrafast photochemistry. New and ongoing method developments in COLUMBUS include the computation of spin densities, improved descriptions of ionic states, enhancements to the AQCC method, and the porting of COLUMBUS to graphical processing units (GPUs). New external interfaces enable an enhanced description of electronic resonances and molecules in strong laser fields. This work highlights these new developments while providing a detailed account of the diverse applications of COLUMBUS in recent years.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

ROY Revisited, Again: The Eighth Solved Structure

X-ray powder diffraction and crystal structure prediction (CSP) algorithms were used in synergy to establish the crystal structure of the eighth polymorph of 5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile (ROY), form R05. R05 crystallizes in the monoclinic space group P2_1 with lattice parameters a = 11.479(4) Å, b = 11.030(1) Å, c = 10.840(6) Å, β = 118.23(1)°. This is both the first acentric ROY polymorph, and the first with Z' > 1. The torsion angles defined by the S-C-N-C atom sequence of each molecule in the asymmetric unit are -34.0° and 44.9°. These angles fall between those previously determined for the red and orange forms of ROY. Hirshfeld surface analysis was employed to understand the crystal packing and intermolecular interactions in R05 and an updated energy stability ranking was determined using computational methods. Finally, although the application of CSP was critical to the structure solution of R05, energy stability rankings determined using a series of DFT vdW-inclusive models substantially deviate from experiment, indicating that ROY polymorphism continues to be a challenge for CSP.

36 MATERIALS SCIENCE↗

Derivation of coarse-grained potentials via multistate iterative Boltzmann inversion

In this work, an extension is proposed to the standard iterative Boltzmann inversion (IBI) method used to derive coarse-grained potentials. It is shown that the inclusion of target data from multiple states yields a less state-dependent potential, and is thus better suited to simulate systems over a range of thermodynamic states than the standard IBI method. The inclusion of target data from multiple states forces the algorithm to sample regions of potential phase space that match the radial distribution function at multiple state points, thus producing a derived potential that is more representative of the underlying interactions. It is shown that the algorithm is able to converge to the true potential for a system where the underlying potential is known. It is also shown that potentials derived via the proposed method better predict the behavior of n-alkane chains than those derived via the standard IBI method. Additionally, through the examination of alkane monolayers, it is shown that the relative weight given to each state in the fitting procedure can impact bulk system properties, allowing the potentials to be further tuned in order to match the properties of reference atomistic and/or experimental systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Quantum fluctuations in the BCS-BEC crossover of two-dimensional Fermi gases

We present a theoretical study of the ground state of the BCS-BEC crossover in dilute two-dimensional Fermi gases. While the mean-field theory provides a simple and analytical equation of state, the pressure is equal to that of a noninteracting Fermi gas in the entire BCS-BEC crossover, which is not consistent with the features of a weakly interacting Bose condensate in the BEC limit and a weakly interacting Fermi liquid in the BCS limit. The inadequacy of the two-dimensional mean-field theory indicates that the quantum fluctuations are much more pronounced than those in three dimensions. In this work, we show that the inclusion of the Gaussian quantum fluctuations naturally recovers the above features in both the BEC and the BCS limits. In the BEC limit, the missing logarithmic dependence on the boson chemical potential is recovered by the quantum fluctuations. Near the quantum phase transition from the vacuum to the BEC phase, we compare our equation of state with the known grand canonical equation of state of two-dimensional Bose gases and determine the ratio of the composite boson scattering length a B to the fermion scattering length a 2D . We find a B ≃ 0.56a 2D , in good agreement with the exact four-body calculation. As a result, we compare our equation of state in the BCS-BEC crossover with recent results from the quantum Monte Carlo simulations and the experimental measurements and find good agreements.

74 ATOMIC AND MOLECULAR PHYSICS↗