Abstract

Parametric models of actual evapotranspiration (AET) based on precipitation (P) and potential evapotranspiration (PET) are region-specific and purely climate-induced and limited to represent the hydrological water balances. Basin-averaged model parameters considering P, AET, and runoff (R) using a machine learning algorithm, ensemble regression model, is proposed. Hydrologically calibrated model parameters allowed the study of AET under alterations of water use for current and for future scenarios under climate change. The effect of climate, water, and land use changes on AET was studied for the post-change period of 2004–2014 compared to pre-change period of 1965–2003 over Krishna river basin (KRB), India. The AET has increased under climate and water use changes while there is both increase and decreases of AET under land use changes for post-change period compared to pre-change period over the basin. Severe water shortages were estimated under pronounced increase of temperature (1.29
C) compared to precipitation increase (2.19%) based on Coordinated Regional Downscaling Experiment (CORDEX) projections for the period 2021–2060. Hydrologically induced AET changes were more pronounced than climate for current climate; whereas climate-induced AET changes were found to be more prominent for projected climate signals over the basin

Abstract

This study aimed to estimate water quality–based minimum environmental flow (Eflow) of a river under the impact of different plausible scenarios. The water quality model QUAL2K was deployed to simulate levels of dissolved oxygen (DO) and biochemical oxygen demand (BOD) in a river during the dry season. Hypothetical scenarios of pollution were generated by varying BOD in contributing drains, and climate change scenarios were generated by altering air temperature over the study region. DO and BOD levels were simulated under the …

Abstract

Regional water resource modelling is important for evaluating system performance by analyzing the reliability, resilience and vulnerability criteria of the system. In water resource systems modelling, several uncertainties abound, including data inadequacy and errors, modeling inaccuracy, lack of knowledge, imprecision, inexactness, randomness of natural phenomena, and operational variability, in addition to challenges such as growing population, increasing water demands, diminishing water sources and climate change. Recent advances in modelling techniques along with high computational capabilities have facilitated rapid progress in this area. In India, several studies have been carried out to understand and quantify uncertainties in various basins, enumerate large temporal and regional mismatches between water availability and demands, and project likely changes due to warming. A comprehensive review of uncertainties in water resource modelling from an Indian perspective is yet to be done. In this work, we aim to appraise the quantification of uncertainties in systems modelling in India and discuss various water resource management and operation models. Basic formulation of models for probabilistic, fuzzy and grey/inexact simulation, optimization, and multi-objective analyses to water resource design, planning and operations are presented. We further discuss challenges in modelling uncertainties, missing links in integrated systems approach, along with directions for future.

Abstract

In this study, a three-dimensional, four-storied, reinforced concrete (RC) building is designed for seismic zone-IV and seismically evaluated for different infill configurations along with consideration of openings in infills to develop a realistic model. Four models are considered, i.e. model I (full RC-infilled frame without lintel beam), model II (bare frame without lintel beam), model III (full RC-infilled frame with lintel beam) and model IV (bare frame with lintel beam). In this study, we have evaluated the effect of lintel beams on response reduction factor of the frame structure. The nonlinear static adaptive pushover analysis has been done using Seismostruct program. In seismic design, the response reduction factor (R-factor) reduces from the elastic to inelastic strength. The R-factor is one of the design tools to show the level of inelasticity in a structure and so it has significant importance in the earthquake engineering field. The response reduction factor mainly consists of ‘ductility reduction factor’ and ‘over strength factor’, which are evaluated from static adaptive pushover analysis. Ultimately the response reduction factor is obtained for the building and compared with the value recommended by IS 1893 Part-1 (2016). The results depict that the R-factor values of full RC-infilled frames and bare frames with incorporation of lintel beams are higher than other frames without lintel beam. However, R-factor values of bare frames are lower than the corresponding values recommended in the BIS code.

Abstract

Motivated by the RDð
Þ anomalies, we investigate an SO(10) grand unification scenario where a charge −1=3 scalar leptoquark (S1) remains as the only new physics candidate at the TeV scale. This leptoquark along with the Standard Model (SM) Higgs doublet originates from the same ten-dimensional real scalar multiplet in the SO(10) grand unification framework taking its mass close to the electroweak scale. We explicitly show how the gauge coupling unification is achieved with only one intermediate symmetrybreaking scale at which the Pati-Salam gauge group is broken into the SM group. We investigate the phenomenological implications of our scenario and show that an S1 with a specific Yukawa texture can explain the RDð
Þ anomalies. We perform a multiparameter scan considering the relevant flavor constraints on RDð
Þ , FLðD
Þ, PτðD
Þ and Rνν Kð
Þ as well as the constraint coming from the Z → ττ decay and the latest ττ resonance search data at the LHC. Our analysis shows that a single leptoquark solution to the observed RDð
Þ anomalies with S1 is still a viable solution.

Abstract

The Standard Model (SM) when extended with a Leptoquark (LQ) and right handed neutrinos, can have interesting new implications for Higgs physics. We show that the sterile neutrinos can induce a significant boost to the down-type quark Yukawa interactions through a diagonal coupling associated with the quarks and a scalar LQ of electromagnetic charge 1/3. The relative change is much more pronounced in case of the first two generations of quarks as they have vanishingly small Yukawa couplings in the SM. The enhancement in the couplings would also lead to a non-negligible contribution of the quark fusion process to the production of the 125 GeV Higgs scalar in the SM, though the gluon fusion always dominates. However, this may not be true for a general scalar. As an example, we consider a scenario with a SM-gauge-singlet scalar φ where an O(1) coupling between φ and the LQ is allowed. The φqq¯ Yukawa couplings can only be generated radiatively through a loop of LQ and sterile neutrinos. Here, the quark fusion process can have significant cross section, specially for a light φ. It can even supersede the normally dominant gluon fusion process for a moderate to large value of the LQ mass. This model can be tested/constrained at the high luminosity run of the LHC through a potentially large branching fraction of the scalar to two-jets.

Abstract

At the LHC, a TeV-scale leptoquark (LQ) that decays dominantly to a top quark (t) and a light charged lepton (` = e, µ) would form a resonance system of boosted-t + high-pT-`. We consider all possible vector LQ models within the Buchmüller-Rückl-Wyler classifications with the desired decay. We propose simple phenomenological Lagrangians that are suitable for bottom-up/experimental studies and, at the same time, can cover the relevant parameter spaces of these models. In this simplified framework, we study the pair and single production channels of vector LQs at the LHC. Interestingly, we find that, like the pair production, the cross sections of some single production processes also depend on the parameter κ that appears in the gluon-vector LQ coupling. We adopt a search strategy of selecting events with at least one boosted hadronic top quark and exactly two high-pT leptons of the same flavor and opposite sign. This combines events from the pair and single production processes and, therefore, can enhance the discovery potential beyond that of the pair-production-only searches. For 5σ discovery we find that vector LQs can be probed up to 2.55 TeV for 100% branching ratio in the t` decay mode and O(1) new couplings at the 14 TeV LHC with 3 ab−1 of integrated luminosity.

Abstract

The optical activity of a metal nanocluster (NC) is induced either by an asymmetric arrangement of constituents or by a dissymmetric field of a chiral ligand layer. Herein, we unveil the origin of chirality in Ag29 NCs, which is attributed to the intrinsically chiral atomic arrangement. The X-ray crystal structure of a Ag29(BDT)12(TPP)4 NC (BDT: 1,3-benzenedithiol; TPP: triphenylphosphine) manifested the presence of intrinsic chirality in the outer shell capping the icosahedral achiral Ag13 core. The enantiomers of the Ag29(BDT)12(TPP)4 NC are separated by high-performance liquid chromatography (HPLC) using a chiral column for the first time, showing mirror-image circular dichroism (CD) spectra. The CD spectra are reproduced by time-dependent density functional theory (TDDFT) calculations based on enantiomeric Ag29 models with achiral 1,3-propanedithiolate ligands. The mechanism of chiral induction in the synthesis of Ag29(DHLA)12 (DHLA: a-dihydrolipoic acid) NCs with a chiral ligand system is further discussed with the aid of DFT calculations. The use of the enantiomeric DHLA ligand preferentially leads to a one-handed atomic arrangement which is more stable than the opposite one, inducing the enantiomeric excess in the population of intrinsically chiral Ag29 NCs with CD activity

Abstract

The fifty–year proposal of nondissociative racemization reaction of a tetracoordinated tetrahedral center from one enantiomer to another via a planar transition state by Hoffmann and coworkers has been explored by many research groups during the past five decades. A number of stable molecules with planar tetracoordinate and higher-coordinate centers have been designed and experimentally realized; however, there has not been a single example of molecular system that can possibly undergo such racemization. Here we show examples of molecular species that undergo inversion of stereochemistry around tetrahedral centers (Si, Al− and P+) either via a planar transition state or an intermediate state using quantum mechanical, ab initio quasi-classical dynamics calculations, and Born-Oppenheimer molecular dynamics (BOMD) simulations. This work is expected to provide potential leads for future studies on this fundamental phenomenon in chemistry.

Abstract

Recent years have witnessed utilization of modern machine learning approaches for predicting properties of material using available datasets. However, to identify potential candidates for material discovery, one has to systematically scan through a large chemical space and subsequently calculate the properties of all such samples. On the other hand, generative methods are capable of efficiently sampling the chemical space and can generate molecules/materials with desired properties. In this study, we report a deep learning based inorganic material generator (DING) framework consisting of a generator module and a predictor module. The generator module is developed based upon conditional variational autoencoders (CVAE) and the predictor module consists of three deep neural networks trained for predicting enthalpy of formation, volume per atom and energy per atom chosen to demonstrate the proposed method. The predictor and generator modules have been developed using a one hot key representation of the material composition. A series of tests were done to examine the robustness of the predictor models, to demonstrate the continuity of the latent material space, and its ability to generate materials exhibiting target property values. The DING architecture proposed in this paper can be extended to other properties based on which the chemical space can be efficiently explored for interesting materials/molecules.