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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Scalable molecular dynamics on CPU and GPU architectures with NAMD

NAMD is a molecular dynamics program designed for high-performance simulations of very large biological objects on CPU- and GPU-based architectures. NAMD offers scalable performance on petascale parallel supercomputers consisting of hundreds of thousands of cores, as well as on inexpensive commodity clusters commonly found in academic environments. It is written in C++ and leans on Charm++ parallel objects for optimal performance on low-latency architectures. NAMD is a versatile, multipurpose code that gathers state-of-the-art algorithms to carry out simulations in apt thermodynamic ensembles, using the widely popular CHARMM, AMBER, OPLS, and GROMOS biomolecular force fields. Here, we review the main features of NAMD that allow both equilibrium and enhanced-sampling molecular dynamics simulations with numerical efficiency. We describe the underlying concepts utilized by NAMD and their implementation, most notably for handling long-range electrostatics; controlling the temperature, pressure, and pH; applying external potentials on tailored grids; leveraging massively parallel resources in multiple-copy simulations; and hybrid quantum-mechanical/molecular-mechanical descriptions. We detail the variety of options offered by NAMD for enhanced-sampling simulations aimed at determining free-energy differences of either alchemical or geometrical transformations and outline their applicability to specific problems. Last, we discuss the roadmap for the development of NAMD and our current efforts toward achieving optimal performance on GPU-based architectures, for pushing back the limitations that have prevented biologically realistic billion-atom objects to be fruitfully simulated, and for making large-scale simulations less expensive and easier to set up, run, and analyze. NAMD is distributed free of charge with its source code at www.ks.uiuc.edu.

high-performance computing↗
DOE OSTI2022

Luminosities and energies of e + e - collision data taken between $\sqrt{s}$=4.61 GeV and 4.95 GeV at BESIII*

From December 2019 to June 2021, the BESIII experiment collected approximately 5.85 fb -1 of data at center-of-mass energies between 4.61 and 4.95 GeV. This is the highest collision energy BEPCII has reached to date. The accumulated e + e - annihilation data samples are useful for studying charmonium(-like) states and charmed-hadron decays. By adopting a novel method of analyzing the production of $Λ^{+}_{c}$ $\overline{Λ}$ $^{-}_{c}$ pairs in e + e - annihilation, the center-of-mass energies are measured with a precision of ~0.6 MeV. Integrated luminosities are measured with a precision of better than 1% by analyzing the events of large-angle Bhabha scattering. These measurements provide important inputs to analyses based on these data samples.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

The Belle II Physics Book

The Belle II Theory Interface Platform (B2TiP) was created as a physics prospects working group of the Belle II collaboration in June 2014. It offered a platform where theorists and experimentalists could work together to elucidate the potential impacts of the Belle II program, which includes a wide scope of physics topics: B physics, charm, τ, quarkonium physics, electroweak precision measurements, and dark sector searches.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Measurement of the branching fraction of Λ + 𝑐 →𝑝⁢𝐾 0 𝑆⁢ 𝜋 0 at Belle

We report a precise measurement of the ratio of branching fractions ℬ⁡(Λ$^+_𝑐$ → 𝑝⁢𝐾$^0_𝑆$⁢𝜋 0 )/ℬ⁡(Λ$^+_𝑐$ → 𝑝⁢𝐾 − ⁢𝜋 + ) using 980 fb −1 of 𝑒 + ⁢𝑒 − data from the Belle experiment. We obtain a value of ℬ⁡(Λ$^+_𝑐$ → 𝑝⁢𝐾$^0_𝑆$⁢𝜋 0 )/ℬ⁡(Λ$^+_𝑐$ → 𝑝⁢𝐾 − ⁢𝜋 + ) =0.339 ±0.002 ±0.009, where the first and second uncertainties are statistical and systematic, respectively. This Belle result is consistent with the previous measurement from the CLEO experiment but has a fivefold improvement in precision. By combining our result with the world average ℬ⁡(Λ$^+_𝑐$ → 𝑝⁢𝐾 − ⁢𝜋 + ), we obtain the absolute branching fraction ℬ⁡(Λ$^+_𝑐$ → 𝑝⁢𝐾$^0_𝑆$⁢𝜋 0 ) =(2.12 ± 0.01 ±0.05 ±0.10)%, where the uncertainties are statistical, systematic, and the uncertainty in the absolute branching fraction scale ℬ⁡(Λ$^+_𝑐$ → 𝑝⁢𝐾 − ⁢𝜋 + ), respectively. This measurement can shed light on hadronic decay mechanisms in charmed baryon decays.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Hidden-strangeness tetraquarks in the dynamical diquark model

The dynamical diquark model describes multiquark exotic hadrons in terms of diquark components nucleated by heavy quarks and successfully explains multiple features of hidden-charm and hidden-bottom exotics. Here, we apply the model to the marginally heavy case of hidden-strange states to probe whether mesons near 2 GeV with peculiar properties, such as 𝜙⁡(2170), 𝑓 2 ⁡(2340), and 𝑋⁡(2370), are possible tetraquark candidates. We calculate spin-multiplet average masses using potentials obtained through lattice simulations and quark models, and we also describe the detailed spectra of the expected multiplets as a diagnostic to discern the nature of future hadrons likely to be discovered in this mass region by experiments at facilities such as BESIII, JLab, and the EIC.

Bound states↗
DOE OSTI2025

Long-lived axionlike particles from tau decays

Axionlike particles (ALPs) are well-motivated examples of light, weakly coupled particles in theories beyond the Standard Model. In this work, we study long-lived ALPs coupled exclusively to leptons in the mass range between 2⁢𝑚 𝑒 and 𝑚 𝜏 − 𝑚 𝑒 . For anarchic flavor structure the leptophilic ALP production in tau decays or from ALP-tau bremsstrahlung is enhanced thanks to derivative couplings of the ALP and can surpass production from electron and muon channels, especially for ALPs heavier than 𝑚 𝜇 . Using past data from high-energy fixed-target experiments such as CHARM and BEBC we place new constraints on the ALP decay constant 𝑓 𝑎 , reaching scales as high as 𝒪⁡(10 8 ) GeV in lepton-flavor-violating channels and 𝑓 𝑎 ∼ 𝒪⁡(10 2 ) GeV in lepton-flavor-conserving ones. We also present projections for the event-rate sensitivity of current and future detectors to ALPs produced at the Fermilab Main Injector, the CERN SPS, and in the forward direction of the LHC. We show that SHiP will be sensitive to 𝑓 𝑎 values that are over an order of magnitude above the existing constraints.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Search for flavor-changing neutral current interactions of the top quark mediated by a Higgs boson in proton-proton collisions at 13 TeV

A search for flavor-changing neutral current interactions of the top quark (𝑡) and the Higgs boson (𝐻) is presented. The search is based on proton-proton collision data collected in 2016–2018 at a center-of-mass energy of 13 TeV with the CMS detector at the LHC, and corresponding to an integrated luminosity of 138 fb −1 . Events containing a pair of leptons with the same-sign electric charge and at least one jet are considered. The results are used to constrain the branching fraction (ℬ) of the top quark decaying to a Higgs boson and an up (𝑢) or charm (𝑐) quark. No significant excess above the estimated background was found. The observed (expected) upper limits at a 95% confidence level are found to be 0.072% (0.059%) for ℬ⁡(𝑡 → 𝐻⁡𝑢) and 0.043% (0.062%) for ℬ⁡(𝑡 → 𝐻⁡𝑐). These results are combined with two other searches performed by the CMS Collaboration for flavor-changing neutral current interactions of top quarks and Higgs bosons in final states where the Higgs boson decays to either a pair of photons or a pair of bottom quarks. The resulting observed (expected) upper limits at the 95% confidence level are 0.019% (0.027%) for ℬ⁡(𝑡 → 𝐻⁡𝑢) and 0.037% (0.035%) for ℬ⁡(𝑡 → 𝐻⁡𝑐).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Ω 3⁢𝑐 ⁢𝑁⁢𝑁 and Ω 3⁢𝑐 ⁢Ω 3⁢𝑐 ⁢𝑁 systems with HAL QCD potentials

Here, this study employs the Faddeev formalism in configuration space to investigate the Ω 3⁢𝑐 ⁢𝑁⁢𝑁 cluster containing a triply charmed Omega baryon (Ω 3⁢𝑐 ). Using the recently reported HAL QCD 𝑆-wave Ω 3⁢𝑐 ⁢𝑁 potentials in the 3 𝑆 1 and 5 𝑆 2 channels, together with the MT-I–III nucleon-nucleon potential and neglecting the Coulomb force, we find no bound state for the Ω 3⁢𝑐 ⁢𝑛⁢𝑝 system. We predict near-threshold resonances in the 𝐽 𝜋 =5/2 + (maximal total spin) and 𝐽 𝜋 =1/2 + (minimal total spin) states, with resonance energies of 1.1 MeV below and 0.0 MeV at the three-body breakup threshold, respectively, at Euclidean time 𝑡/𝑎 =16. A similar analysis of the Ω 3⁢𝑐⁢ Ω 3⁢𝑐⁢ 𝑁 system likewise reveals no bound states, though a possible resonance is indicated.

few-body systems↗
DOE OSTI2026

FLAG review 2024

We review lattice results related to pion, kaon, 𝐷-meson, 𝐵-meson, and nucleon physics with the aim of making them easily accessible to the nuclear and particle physics communities. More specifically, we report on the determination of the light-quark masses, the form factor 𝑓+⁡(0) arising in the semileptonic 𝐾 → 𝜋 transition at zero momentum transfer, as well as the decay-constant ratio 𝑓 𝐾 ⁡/𝑓 𝜋 and its consequences for the Cabibbo–Kobayashi–Maskawa (CKM) matrix elements 𝑉 𝑢⁢𝑠 and 𝑉 𝑢⁢𝑑 . We review the determination of the 𝐵 𝐾 parameter of neutral kaon mixing as well as the additional four 𝐵 parameters that arise in theories of physics beyond the Standard Model. For the heavy-quark sector, we provide results for 𝑚 𝑐 and 𝑚 𝑏 as well as those for the decay constants, form factors, and mixing parameters of charmed and bottom mesons and baryons. These are the heavy-quark quantities most relevant for the determination of CKM matrix elements and the global CKM unitarity-triangle fit. We review the status of lattice determinations of the strong coupling constant 𝛼 𝑠 . We review the determinations of nucleon charges from the matrix elements of both isovector and flavor-diagonal axial, scalar and tensor local quark bilinears, and momentum fraction, helicity moment and the transversity moment from one-link quark bilinears. We also review determinations of scale-setting quantities. Finally, in this review we have added a new section on the general definition of the low-energy limit of the Standard Model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Measurement of D 0 -meson + hadron two-dimensional angular correlations in Au + Au collisions at s N N = 200 GeV

Open heavy flavor hadrons provide unique probes of the medium produced in ultra-relativistic heavy-ion collisions. Due to their increased mass relative to light-flavor hadrons, long lifetime, and early production in hard-scattering interactions, they provide access to the full evolution of the partonic medium formed in heavy-ion collisions. This paper reports two-dimensional (2D) angular correlations between neutral D-mesons and unidentified charged particles produced in minimum-bias Au+Au collisions at s N N = 200 GeV. D 0 and D 0 ¯ mesons are reconstructed via their weak decay to K ∓ π ± using the Heavy Flavor Tracker (HFT) in the Solenoidal Tracker at RHIC (STAR) experiment. Correlations on relative pseudorapidity and azimuth (Δη,ΔΦ) are presented for peripheral, mid-central and central collisions with D 0 transverse momentum from 2 to 10 GeV/c. Attention is focused on the 2D peaked correlation structure near the triggered D 0 -meson, the {\em near-side} (NS) peak, which serves as a proxy for a charm-quark containing jet. The correlated NS yield of charged particles per D 0 -meson and the 2D widths of the NS peak increase significantly from peripheral to central collisions. These results are compared with similar correlations using unidentified charged particles, consisting primarily of light-flavor hadrons, at similar trigger particle momenta. Similar per-trigger yields and widths of the NS correlation peak are observed. Here, the present results provide additional evidence that D 0 -mesons undergo significant interactions with the medium formed in heavy-ion collision and show, for the first time, significant centrality evolution of the NS 2D peak in the correlations of particles associated with a heavy-flavor hadron produced in these collisions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Dielectron production in proton-proton and proton-lead collisions at $\sqrt{s_{NN}}$=5.02TeV

The first measurements of dielectron production at midrapidity (|η e | < 0.8) in proton–proton and proton–lead collisions at $\sqrt{s_{NN}}$ = 5.02 TeV at the LHC are presented. The dielectron cross section is measured with the ALICE detector as a function of the invariant mass m ee and the pair transverse momentum p T,ee in the ranges mee < 3.5 GeV/c 2 and p T,ee < 8 GeV/c, in both collision systems. In proton–proton collisions, the charm and beauty cross sections are determined at midrapidity from a fit to the data with two different event generators. This complements the existing dielectron measurements performed at $\sqrt{s}$ = 7 and 13 TeV. The slope of the $\sqrt{s}$ dependence of the three measurements is described by FONLL calculations. The dielectron cross section measured in proton–lead collisions is in agreement, within the current precision, with the expected dielectron production without any nuclear matter effects for e + e - pairs from open heavy-flavor hadron decays. For the first time at LHC energies, the dielectron production in proton–lead and proton–proton collisions are directly compared at the same $\sqrt{s_{NN}}$ via the dielectron nuclear modification factor R pPb . The measurements are compared to model calculations including cold nuclear matter effects, or additional sources of dielectrons from thermal radiation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

First measurement of Λ c + production down to p T = 0 in p p and p -Pb collisions at s N N = 5.02 TeV

The production of prompt $Λ_{c}^{+}$ baryons has been measured at midrapidity in the transverse momentum interval 0 < p T < 1 GeV/c for the first time, in pp and p–Pb collisions at a center-of-mass energy per nucleon-nucleon collision $\sqrt{s_{NN}}$ = 5.02 TeV . The measurement was performed in the decay channel $Λ_{c}^{+}$ → p$K_{S}^{0}$ by applying new decay reconstruction techniques using a Kalman-Filter vertexing algorithm and adopting a machine-learning approach for the candidate selection. The p T -integrated $Λ_{c}^{+}$ production cross sections in both collision systems were determined and used along with the measured yields in Pb–Pb collisions to compute the p T -integrated nuclear modification factors R pPb and R AA of $Λ_{c}^{+}$ baryons, which are compared to model calculations that consider nuclear modification of the parton distribution functions. The $Λ_{c}^{+}$/D 0 baryon-to-meson yield ratio is reported for pp and p–Pb collisions. Comparisons with models that include modified hadronization processes are presented, and the implications of the results on the understanding of charm hadronization in hadronic collisions are discussed. A significant (3.7σ) modification of the mean transverse momentum of $Λ_{c}^{+}$ baryons is seen in p –Pb collisions with respect to pp collisions, while the p T -integrated $Λ_{c}^{+}$/D 0 yield ratio was found to be consistent between the two collision systems within the uncertainties.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Measurement of the J/ψ photoproduction cross section over the full near-threshold kinematic region

Here, we report the total and differential cross sections for $J/\psi$ photoproduction with the large acceptance GlueX spectrometer for photon beam energies from the threshold at 8.2 GeV up to 11.44 GeV and over the full kinematic range of momentum transfer squared, $t$. Such coverage facilitates the extrapolation of the differential cross sections to the forward ($t = 0$) point beyond the physical region. The forward cross section is used by many theoretical models and plays an important role in understanding $J/\psi$ photoproduction and its relation to the $J/\psi$-proton interaction. These measurements of $J/\psi$ photoproduction near threshold are also crucial inputs to theoretical models that are used to study important aspects of the gluon structure of the proton, such as the gluon Generalized Parton Distribution (GPD) of the proton, the mass radius of the proton, and the trace anomaly contribution to the proton mass. We observe possible structures in the total cross section energy dependence and find evidence for contributions beyond gluon exchange in the differential cross section close to threshold, both of which are consistent with contributions from open-charm intermediate states.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Measurement of electrons from beauty-hadron decays in $pp$ and Pb-Pb collisions at $\sqrt{s_{NN}}$ = $5.02$ TeV

The production of electrons from beauty-hadron decays was measured at midrapidity in proton-proton ($pp$) and central Pb-Pb collisions at center-of-mass energy per nucleon-nucleon pair $\sqrt{s_{NN}}$ = 5.02 TeV, using the ALICE detector at the LHC. The cross section measured in p p collisions in the transverse momentum interval $2$ < $p_T$ < $26$ $\mathrm{GeV}$ / $c$ was compared with models based on perturbative quantum chromodynamics calculations. The yield in the 10% most central Pb-Pb collisions, measured in the interval $2$ < $p_T$ < $26$ $\mathrm{GeV}$ / $c$, was used to compute the nuclear modification factor $R_{AA}$, extrapolating the $pp$ reference cross section to $p_T$ larger than 8 $\mathrm{GeV}$ / $c$. The measured $R_{AA}$ shows significant suppression of the yield of electrons from beauty-hadron decays at high $p_T$ and does not show a significant dependence above 8 $\mathrm{GeV}$ / $c$ within uncertainties. The results are described by several theoretical models based on different implementations of the interaction of heavy quarks with a quark-gluon plasma, which predict a smaller energy loss for beauty quarks compared to light and charm quarks.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Dynamical model of J/ψ photoproduction on the nucleon

Here, a dynamical model based on a phenomenological charm quark-nucleon (c – N) potential v cN and the Pomeronexchange mechanism is constructed to investigate the J/ψ photoproduction on the nucleon from threshold to invariant mass W = 300 GeV. The J/ψ – N potential, V J/ψN (r), is constructed by folding v cN into the wave function φ J/ψ ($c\bar{c}$) of J/ψ within a constituent quark model (CQM) of Segovia et al. [Int. J. Mod. Phys. E 22, 1330026 (2013)]. A photoproduction amplitude is also generated by v cN by a $c\bar{c}$–loop integration over the γ → $c\bar{c}$ vertex function and φ J/ψ ($c\bar{c}$). No commonly used vector meson dominance assumption is used to define this photoproduction amplitude which is needed to describe the data near the threshold. The c – N potential v cN (r) is parameterized in a form such that the predicted V J/ψN (r) at large distances has the same Yukawa potential form extracted from a lattice QCD (LQCD) calculation of Kawanai and Sasaki, [Phys. Rev. D 82, 091501(R) (2010)]. The parameters of vcN are determined by fitting the total cross-section data of Jefferson Laboratory (JLab) by performing calculations that include J/ψ – N final-state interactions (FSI). The resulting differential cross sections dσ /dt are found in good agreements with the data. It is shown that the FSI effects dominate the cross section in the very near-threshold region, allowing for sensitive testing of the predicted J/ψ – N scattering amplitudes. By imposing the constraints of J/ψ – N potential extracted from the LQCD calculation of Kawanai and Sasaki, [Phys. Rev. D 82, 091501(R) (2010)], we have obtained three J/ψ – N potentials which fit the JLab data equally well. The resulting J/ψ – N scattering lengths are in the range of a = [-0.05, -0.25] fm. With the determined v cN (r) and the wave functions generated from the same CQM, the constructed model is used to predict the cross sections of photoproduction of η c (1S) and ψ(2S) mesons for future experimental tests.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Borexino and general neutrino interactions

We derive constraints on all possible general neutrino-electron interactions (scalar, vector, pseudo-scalar, axial-vector and tensor) using the recent real time Borexino event rate measurements of pp, pep and Be7 solar neutrinos. Some of the limits improve from TEXONO and CHARM-II for incoming electron and muon neutrinos while the rest remains weaker for Borexino and those for the tau flavor are the first ones. Future improvements by next-generation solar neutrino experiments are also studied. The limits extend the physics reach of solar neutrino measurements to TeV-scale physics. Finally, the different properties of the new interactions for Dirac and Majorana neutrinos are discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Hadronic interaction model sibyll 2.3d and extensive air showers

We present a new version of the hadron interaction event generator SIBYLL. While the core ideas of the model have been preserved, the new version handles the production of baryon pairs and leading particles in a new way. In addition, production of charmed hadrons is included. Updates to the model are informed by high-precision measurements of the total and inelastic cross sections with the forward detectors at the LHC that constrain the extrapolation to ultrahigh energy. Minimum-bias measurements of particle spectra and multiplicities support the tuning of fragmentation parameters. This paper demonstrates the impact of these changes on air-shower observables such as X max and N μ , drawing comparisons with other contemporary cosmic-ray interaction models.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Light new physics in XENON1T

We examine the recently-reported low-energy electron recoil spectrum observed at the XENON1T underground dark matter direct detection experiment, in the context of new interactions with solar neutrinos. In particular we show that scalar and vector mediators with masses $\lesssim 50$ keV coupled to leptons could already leave a visible signature in the XENON1T experiment, similar to the observed peak below 7 keV. This signals that dark matter detectors are already competing with neutrino scattering experiments such as GEMMA, CHARM-II and Borexino. If these results from XENON1T are interpreted as a new signal of such physics, the parameters which fit the excess face challenges from astrophysics which seem very difficult to overcome. If they are rather viewed as a constraint on new couplings, they herald the start of an era of novel precise probes of physics beyond the standard model with dark matter detectors.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗