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At least 397 records · Page 22

Minimizing Energy Loss by Designing Multifunctional Solid Additives to Independent Regulation of Donor and Acceptor Layers for Efficient LBL Polymer Solar Cells

Solid additives are crucial in layer-by-layer (LBL) polymer solar cells (PSCs). Despite its importance, the simultaneous application of solid additives into both donor and acceptor layers has been largely overlooked. In this work, two multifunctional solid additives are actively designed, and investigated the synergistic effect on both donor and acceptor layers. Incorporating the multifunctional solid additives into the donor layer could effectively enhance the aggregation and molecular stacking of the donor polymer, leading to reduced energy disorder and minimizing ΔE 2 . When the multifunctional solid additives are introduced into the acceptor layer, they just play a role in optimizing the morphology, thereby reducing the ΔE 3 . Excitedly, the simultaneous addition of the multifunctional solid additives into both donor and acceptor layers produced a synergistic effect for decreasing ΔE 2 and ΔE 3 simultaneously, especially adding SA2, thus enabling an excellent power conversion efficiency (PCE) of 19.95% (certified as 19.68%) with an open-circuit voltage (V oc ) of 0.921 V, a short circuit current density (J sc ) of 27.08 mA cm -2 and a fill factor (FF) of 79.98%. The work highlights the potential of multifunctional solid additives in independently regulating the properties of donor and acceptor layers, which is expected as a promising approach for further developing higher performance PSCs.

36 MATERIALS SCIENCE↗

Global optimization of multicomponent distillation configurations: 2. Enumeration based global minimization algorithm

We present a general Global Minimization Algorithm (GMA) to identify basic or thermally coupled distillation configurations that require the least vapor duty under minimum reflux conditions for separating any ideal or near-ideal multicomponent mixture into a desired number of product streams. In this algorithm, global optimality is guaranteed by modeling the system using Underwood equations and reformulating the resulting constraints to bilinear inequalities. The speed of convergence to the globally optimal solution is increased by using appropriate feasibility and optimality based variable-range reduction techniques and by developing valid inequalities. As a result, the GMA can be coupled with already developed techniques that enumerate basic and thermally coupled distillation configurations, to provide for the first time, a global optimization based rank-list of distillation configurations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Electrochemical Measurement of Gold Oxide Reduction and Methods for Acid Neutralization and Minimization of Water in Wet Ionic Liquid

The formation and reduction of gold oxide in wet ionic liquid (IL), N-trimethyl-N-butylammonium bis(trifluoromethanesulfonyl)imide, ([Me 3 N n Bu][TFSI]) is examined. The water concentration is determined using both the charge and peak current from the reduction of gold oxide and compared directly with Karl Fischer data. The quantitative determination of water in the IL is demonstrated for concentrations between 0.09 and 0.74 by weight (w%). The treatment of wet IL with dry nitrogen or molecular sieves reduces the water below background levels. Finally, methods for acid neutralization and the reduction of water with molecular sieves are conducted to minimize their impact on subsequent electrochemical measurements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Low synchronization Gram–Schmidt and generalized minimal residual algorithms

The Gram–Schmidt process uses orthogonal projection to construct the A = QR factorization of a matrix. When Q has linearly independent columns, the operator P = I - Q(QTQ)-1QT defines an orthogonal projection onto Q⊥. In finite precision, Q loses orthogonality as the factorization progresses. A family of approximate projections is derived with the form P = I - QTQT, with correction matrix T. When T = (QTQ)-1, and T is triangular, it is postulated that the best achievable orthogonality is $\mathcal{O}(ε)\mathcal{K}(A)$. We present new variants of modified (MGS) and classical Gram–Schmidt algorithms that require one global reduction step. An interesting form of the projector leads to a compact WY representation for MGS. In particular, the inverse compact WY MGS algorithm is equivalent to a lower triangular solve. Our main contribution is to introduce a backward normalization lag into the compact WY representation, resulting in a $\mathcal{O}(ε)\mathcal{K}[r_0, AV_m])$ stable Generalized Minimal Residual Method (GMRES) algorithm that requires only one global reduce per iteration. Finally, further improvements in performance are achieved by accelerating GMRES on GPUs.

97 MATHEMATICS AND COMPUTING↗

A minimally invasive, efficient method for propagation of full-field uncertainty in solid dynamics

In this work, we present a minimally invasive method for forward propagation of material property uncertainty to full-field quantities of interest in solid dynamics. Full-field uncertainty quantification enables the design of complex systems where quantities of interest, such as failure points, are not known a priori. The method, motivated by the well-known probability density function (PDF) propagation method of turbulence modeling, uses an ensemble of solutions to provide the joint PDF of desired quantities at every point in the domain. A small subset of the ensemble is computed exactly, and the remainder of the samples are computed with approximation of the evolution equations based on those exact solutions. Although the proposed method has commonalities with traditional interpolatory stochastic collocation methods applied directly to quantities of interest, it is distinct and exploits the parameter dependence and smoothness of the driving term of the evolution equations. The implementation is model independent, storage and communication efficient, and straightforward. We demonstrate its efficiency, accuracy, scaling with dimension of the parameter space, and convergence in distribution with two problems: a quasi-one-dimensional bar impact, and a two material notched plate impact. For the bar impact problem, we provide an analytical solution to PDF of the solution fields for method validation. With the notched plate problem, we also demonstrate good parallel efficiency and scaling of the method.

42 ENGINEERING↗

Synergistic Effects of Side-Chain Engineering and Fluorination on Small Molecule Acceptors to Simultaneously Broaden Spectral Response and Minimize Voltage Loss for 13.8% Efficiency Organic Solar Cells

In this paper, three small molecule (SM)-acceptors (POIT-IC, POIT-IC2F, and POIT-IC4F) are developed by combining the side-chain engineering located on the sp 3 -hybridized carbon atoms of the fused-ring core and the fluorination of end groups. From ITIC to POIT-IC, POIT-IC2F, and then to POIT-IC4F, the SM-acceptors show gradually broadened absorption spectra, increased maximum extinction coefficient, crystallinity, and electron mobilities due to the synergistic effects of side-chain engineering and fluorination. Compared with nonfluorinated ITIC and POIT-IC, as fluorination broadens the molecular spectra, POIT-IC2F and POIT-IC4F with alkoxyphenyl side chains show less decreased LUMO levels than IT-IC2F and IT-IC4F with alkylphenyl side chains, which are conducive to both higher V oc and J sc for organic solar cells (OSCs). Combined with polymer donor PM6, the POIT-IC4F-based OSCs achieve a device efficiency of up to 13.8% with a high V oc of 0.91 V and J sc of 20.9 mA cm –2 , which are significantly higher than that of the control OSCs based on ITIC (8.9%), POIT-IC (10.1%), or IT-IC4F (12.2%). An efficiency of 13.8% is one of the highest PCEs reported for the annealing-free OSCs. Our results show that the synergistic effects of side-chain engineering and fluorination on SM-acceptor can simultaneously broaden spectral response and minimize voltage loss of OSCs and ultimately achieve high device efficiency.

14 SOLAR ENERGY↗

Beyond minimal lepton-flavored Dark Matter

In this paper ,we consider a class of flavored dark matter (DM) theories where dark matter interacts with the Standard Model lepton fields at the renormalizable level. We allow for a general coupling matrix between the dark matter and leptons whose structure is beyond the one permitted by the minimal flavor violation (MFV) assumption. It is assumed that this is the only new source of flavor violation in addition to the Standard Model (SM) Yukawa interactions. The setup can be described by augmenting the SM flavor symmetry by an additional SU(3) χ , under which the dark matter χ transforms. This framework is especially phenomenologically rich, due to possible novel flavor-changing interactions which are not present within the more restrictive MFV framework. As a representative case study of this setting, which we call “beyond MFV” (BMFV), we consider Dirac fermion dark matter which transforms as a singlet under the SM gauge group and a triplet under SU(3) χ . The DM fermion couples to the SM lepton sector through a scalar mediator Φ. Unlike the case of quark-flavored DM, we show that there is no Z 3 symmetry within either the MFV or BMFV settings which automatically stabilizes the lepton-flavored DM. We discuss constraints on this setup from flavor-changing processes, DM relic abundance as well as direct and indirect detections. We find that relatively large flavor-changing couplings are possible, while the dark matter mass is still within the phenomenologically interesting region below the TeV scale. Collider signatures which can be potentially searched for at the lepton and hadron colliders are discussed. Finally, we discuss the implications for decaying dark matter, which can appear if an additional stabilizing symmetry is not imposed.

79 ASTRONOMY AND ASTROPHYSICS↗

Exploring the phenomenology of weak adjoint scalars in minimal R -symmetric models

We examine the phenomenology of the scalar fields in weak and Higgs sectors of minimal R-symmetric models, in particular the ‘swino’ and ‘sbino’, the scalar partners to the chiral fields that marry the electroweak gauge bosons in Dirac gaugino models. These fields are in adjoint representations of SU(2) and U(1) and have both CP-even and CP-odd components. The interactions of these new states are summarized, and decay widths are computed analytically to one loop order. We discuss the tree level contributions of these new states to the mass spectrum of MSSM sfermions. We also explore production cross sections and decay signatures at colliders for several chosen benchmarks. We find that large regions of parameter space are unconstrained by present collider data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Lepto-axiogenesis in minimal $\mathrm{SUSY}$ $\mathrm{KSVZ}$ model

We study the lepto-axiogenesis scenario in the minimal supersymmetric KSVZ axion model. Only one Peccei-Quinn (PQ) field and vector-like fields are introduced besides the MSSM with the type-I see-saw mechanism. The PQ field is stabilized by the radiative correction induced by the Yukawa couplings with the vector-like fields introduced in the KSVZ model. We develop a way to follow the dynamics of the PQ field, in particular we found a semi-analytical solution which describes the rotational motion under the log-arithmic potential with including the thermalization effect via the gluon scattering which preserves the PQ symmetry. Based on the solution, we studied the baryon asymmetry, the effective number of neutrino, and the dark matter density composed of the axion and the neutralino. We found that the baryon asymmetry is successfully explained when the mass of PQ field is $\mathcal{O}$(10 6 GeV) ($\mathcal{O}$(10 5 GeV)) with the power of the PQ breaking term being 10 (8).

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Variant Nelson-Barr mechanism with minimal flavor violation

Within the general framework of using spontaneous CP violation to solve the strong CP problem, we construct a variant Nelson-Barr model in which the Standard Model (SM) quark contribution to the strong CP phase is cancelled by new heavy QCD-charged fermions. This cancellation is ensured by choosing conjugate representations for the new colored states under the same global flavor symmetry of SM quarks. Choosing the global flavor symmetry to be that of minimal flavor violation, we suppress higher-order corrections to the strong CP phase to well below current experimental constraints. More than two dozen massless Goldstone bosons emerge from spontaneous flavor symmetry breaking, which yield strong astrophysical constraints on the symmetry breaking scale. In the early universe, the Goldstone bosons can be thermally produced from their interactions with the heavy colored fermions and contribute to ΔN eff at a measurable level. As a function of reheating temperature, the predicted ΔN eff shows an interesting plateau behavior we dub the “flavor stairway”, which encodes information about the SM quark flavor structure.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

A minimal supersymmetric E6 unified theory

We show explicitly that supersymmetric E 6 Grand Unified Theory with a Higgs sector consisting of {27+$\overline{27}$ + 351+ $\overline{351}$ + 78} fields provides a realistic scenario for symmetry breaking and fermion mass generation. While gauge symmetry breaking can be achieved without the 78 field, its presence is critical for a successful doublet-triplet mass splitting. The Yukawa sector of the model consists of only two symmetric matrices describing all of quark, lepton and neutrino masses and mixings. The fermion mass matrices are computed at low energy and a fit to the second and third generation masses and mixings is performed. Here, we find a good numerical fit to the low-energy data. Thus, this model, having 11 superpotential parameters, alongside the two symmetric Yukawa matrices, seems to be the best realistic candidate for a minimal renormalizable supersymmetric E 6 unified theory.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

The minimal SUSY B - L model: from the unification scale to the LHC

Here, this paper introduces a random statistical scan over the high-energy initial parameter space of the minimal SUSY B - L model — denoted as the B - L MSSM. Each initial set of points is renormalization group evolved to the electroweak scale — being subjected, sequentially, to the requirement of radiative B - L and electroweak symmetry breaking, the present experimental lower bounds on the B - L vector boson and sparticle masses, as well as the lightest neutral Higgs mass of ~125 GeV. The subspace of initial parameters that satisfies all such constraints is presented, shown to be robust and to contain a wide range of different configurations of soft supersymmetry breaking masses. The low-energy predictions of each such “valid” point — such as the sparticle mass spectrum and, in particular, the LSP — are computed and then statistically analyzed over the full subspace of valid points. Finally, the amount of fine-tuning required is quantified and compared to the MSSM computed using an identical random scan. The B - L MSSM is shown to generically require less fine-tuninng.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Hilbert series for covariants and their applications to minimal flavor violation

We elaborate how to apply the Hilbert series method to enumerating group covariants, which transform under any given representation, including but going beyond group invariants. Mathematically, group covariants form a module over the ring of the invariants. The number of independent covariants is given by the rank of the module, which can be computed by taking a ratio of two Hilbert series. In many cases, the rank equals the dimension of the group covariant representation. When this happens, we say that there is a rank saturation. We apply this technology to revisit the hypothesis of Minimal Flavor Violation in constructing Effective Field Theories beyond the Standard Model. We find that rank saturation is guaranteed in this case, leading to the important consequence that the MFV symmetry principle does not impose any restriction on the EFT, i.e. MFV SMEFT = SMEFT, in the absence of additional assumptions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

The minimal SUSY B - L model: simultaneous Wilson lines and string thresholds

In previous work, we presented a statistical scan over the soft supersymmetry breaking parameters of the minimal SUSY B - L model. For specificity of calculation, unification of the gauge parameters was enforced by allowing the two Z 3 ×Z 3 Wilson lines to have mass scales separated by approximately an order of magnitude. This introduced an additional “left-right” sector below the unification scale. In this paper, for three important reasons, we modify our previous analysis by demanding that the mass scales of the two Wilson lines be simultaneous and equal to an “average unification” mass U >. The present analysis is 1) more “natural” than the previous calculations, which were only valid in a very specific region of the Calabi-Yau moduli space, 2) the theory is conceptually simpler in that the left-right sector has been removed and 3) in the present analysis the lack of gauge unification is due to threshold effects — particularly heavy string thresholds, which we calculate statistically in detail. As in our previous work, the theory is renormalization group evolved from U > to the electroweak scale — being subjected, sequentially, to the requirement of radiative B - L and electroweak symmetry breaking, the present experimental lower bounds on the B - L vector boson and sparticle masses, as well as the lightest neutral Higgs mass of ~125 GeV. The subspace of soft supersymmetry breaking masses that satisfies all such constraints is presented and shown to be substantial.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Minimal models for dark matter and the muon g — 2 anomaly

We construct models with minimal field content that can simultaneously explain the muon g — 2 anomaly and give the correct dark matter relic abundance. These models fall into two general classes, whether or not the new fields couple to the Higgs. For the general structure of models without new Higgs couplings, we provide analytical expressions that only depend on the SU(2) L representation. These results allow to demonstrate that only few models in this class can simultaneously explain (g — 2) μ and account for the relic abundance. Here, the experimental constraints and perturbativity considerations exclude all such models, apart from a few fine-tuned regions in the parameter space, with new states in the few 100 GeV range. In the models with new Higgs couplings, the new states can be parametrically heavier by a factor √1/y μ , with y μ the muon Yukawa coupling, resulting in masses for the new states in the TeV regime. At present these models are not well constrained experimentally, which we illustrate on two representative examples.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Most general EFTs from spurion analysis Hilbert series and minimal lepton flavor violation

We derive a saturation theorem for general Effective Field Theories (EFTs) constructed using spurion analysis. Let S be a set of spurion fields introduced to organize the breaking of a global symmetry G f , and H S be the subgroup of G f that remains unbroken under a generic vacuum expectation value ⟨S⟩; we show that the EFT Lagrangian constructed from the spurion analysis saturates the EFT Lagrangian without the spurions but restricted to H S invariance, provided that arbitrary powers of the spurion fields are allowed. As examples, we study several implementations of the Minimal Lepton Flavor Violation (MLFV) principle, corresponding to various origins of the neutrino masses. In each scenario, we compute the Hilbert series to obtain the numbers of independent lepton flavor covariants that appear in the corresponding EFT at mass dimension 6. These numbers agree with the number of H S invariants in the EFT without the spurions, demonstrating the saturation theorem.

Effective Field Theories↗

Non-topological logarithmic corrections in minimal gauged supergravity

We compute the logarithmic correction to the entropy of asymptotically AdS4 black holes in minimal N = 2 gauged supergravity. We show that for extremal black holes the logarithmic correction computed in the near horizon geometry agrees with the result in the full geometry up to zero mode contributions, thus clarifying where the quantum degrees of freedom lie in AdS spacetimes. In contrast to flat space, we observe that the logarithmic correction for supersymmetric black holes can be non-topological in AdS as it is controlled by additional four-derivative terms other than the Euler density. The available microscopic data and results in 11d supergravity indicate that the full logarithmic correction is topological, which suggests that the topological nature of logarithmic corrections could serve as a diagnosis of whether a low-energy gravity theory admits an ultraviolet completion.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

The running coupling of the minimal sextet composite Higgs model

We compute the renormalized running coupling of SU(3) gauge theory coupled to N f = 2 flavors of massless Dirac fermions in the 2-index-symmetric (sextet) representation. This model is of particular interest as a minimal realization of the strongly interacting composite Higgs scenario. A recently proposed finite volume gradient flow scheme is used. The calculations are performed at several lattice spacings with two different implementations of the gradient flow allowing for a controlled continuum extrapolation and particular attention is paid to estimating the systematic uncertainties. For small values of the renormalized coupling our results for the β-function agree with perturbation theory. For moderate couplings we observe a downward deviation relative to the 2-loop β-function but in the coupling range where the continuum extrapolation is fully under control we do not observe an infrared fixed point. The explored range includes the locations of the zero of the 3-loop and the 4-loop β-functions in the $\overline{MS}$ scheme. The absence of a non-trivial zero in the β-function in the explored range of the coupling is consistent with our earlier findings based on hadronic observables, the chiral condensate and the GMOR relation. The present work is the first to report continuum non-perturbative results for the sextet model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗