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Results for “INCLUSIVE INTERACTIONS”

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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Tuning crack-inclusion interaction with an applied T -stress

The interaction between cracks and inclusions plays an important role in the fracture behavior of particulate composites. It is commonly recognized that an inclusion stiffer than the matrix tends to deflect an approaching crack away while a softer inclusion attracts the crack. Here, we demonstrate by analytical modeling and numerical simulations that the crack-inclusion interaction can be tuned by an applied T-stress. Under a sufficiently large compressive applied T-stress, cracks can be attracted to stiffer inclusions while repelled by softer ones, therefore reversing the conventional trend. Potential applications of this work include composite electrodes in lithium-ion batteries and hydraulic fracturing.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Final-state interactions in inclusive deep-inelastic scattering from the deuteron

We explore the role of final-state interactions (FSI) in inclusive deep-inelastic scattering from the deuteron. Relating the inclusive cross section to the deuteron forward virtual Compton scattering amplitude, a general formula for the FSI contribution is derived in the generalized eikonal approximation, utilizing the diffractive nature of the effective hadron-nucleon interaction. The calculation uses a factorized model with a basis of three resonances with mass W~<2 GeV and a continuum contribution for larger W as the relevant set of effective hadron states entering the final-state interaction amplitude. The results show sizeable on-shell FSI contributions for Bjorken x ~> 0.6 and Q 2 < 10 GeV 2 increasing in magnitude for lower Q 2 , but vanishing in the high-Q 2 limit due to phase space constraints. The off-shell rescattering contributes at x ~> 0.8 and is taken as an uncertainty on the on-shell result.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2014

General model of phospholipid bilayers in fluid phase within the single chain mean field theory

Coarse-grained model for saturated phospholipids: 1,2-didecanoyl-sn-glycero-3-phosphocholine (DCPC), 1,2-dilauroyl-sn-glycero-3-phosphocholine (DLPC), 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC), 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC), 1,2-distearoyl-sn-glycero-3-phosphocholine (DSPC) and unsaturated phospholipids: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC), 1,2- dioleoyl-sn-glycero-3-phosphocholine (DOPC) is introduced within the single chain mean field theory. A single set of parameters adjusted for DMPC bilayers gives an adequate description of equilibrium and mechanical properties of a range of saturated lipid molecules that differ only in length of their hydrophobic tails and unsaturated (POPC, DOPC) phospholipids which have double bonds in the tails. A double bond is modeled with a fixed angle of 120°, while the rest of the parameters are kept the same as saturated lipids. The thickness of the bilayer and its hydrophobic core, the compressibility, and the equilibrium area per lipid correspond to experimentally measured values for each lipid, changing linearly with the length of the tail. The model for unsaturated phospholipids also fetches main thermodynamical properties of the bilayers. This model is used for an accurate estimation of the free energies of the compressed or stretched bilayers in stacks or multilayers and gives reasonable estimates for free energies. The proposed model may further be used for studies of mixtures of lipids, small molecule inclusions, interactions of bilayers with embedded proteins.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Conductive Liquid Metal Vitrimer Composites for Reconfigurable and Recyclable Flexible Electronics

Liquid metal (LM) elastomer composites exhibit excellent functionality for stretchable electronics and wearables, but limited recycling and reuse pathways constrain their sustainable use. Here, to address these challenges amid growing concerns over electronic waste, a conductive LM–vitrimer composite is presented that enables recyclable and reconfigurable electronics. This soft and stretchable composite features uniformly distributed LM inclusions that enhance thermal conductivity by 6.53× and enable the formation of conductive traces with electrical self-healing, while the vitrimer provides structural restoration. The dynamic covalent bonds of the vitrimer matrix are leveraged for both reprocessing the composite and chemically recovering 94% of the LM. This liquid-state filler slightly reduces the vitrimer's stiffness to 2.63 MPa (≈20% lower), while maintaining its high stretchability (>135% strain) and thermal stability. It is further examined how ultrasonicated LM inclusions interact with the vitrimer matrix and demonstrate the composite's self-healing and recyclability through two distinct approaches: 1) thermomechanical reprocessing, which restores fragmented composites under heat and compression for circuit reconfiguration; and 2) chemical recycling, which recovers the embedded LM for reuse in fabricating new composites and redesigned circuitry. With the integration of recyclability and diverse functional capabilities, LM–vitrimer composites emerge as a promising material platform for sustainable, flexible electronics.

Han, Youngshang [Univ. of Washington, Seattle, WA ↗
DOE OSTI2015

On the electronic, structural, and thermodynamic properties of Au supported on α-Fe{sub 2}O{sub 3} surfaces and their interaction with CO

Extensive first principles calculations are carried out to investigate Au monomers and dimers supported on α-Fe{sub 2}O{sub 3}(0001) surfaces in terms of structure optimizations, electronic structure analyses, and ab initio thermodynamics calculations of surface phase diagrams. All computations rely on density functional theory in the generalized gradient approximation (Perdew-Burke-Ernzerhof (PBE)) and account for on-site Coulomb interactions via inclusion of a Hubbard correction (PBE+U). The relative stability of Au monomers/dimers on the stoichiometric termination of α-Fe{sub 2}O{sub 3}(0001) decorated with various vacancies (multiple oxygen vacancies, iron vacancy, and mixed iron-oxygen vacancies) has been computed as a function of the oxygen chemical potential. The charge rearrangement induced by Au at the oxide contact is analyzed in detail and discussed. On one hand, ab initio thermodynamics predicts that under O-rich conditions, structures obtained by replacing a surface Fe atom with a Au atom are thermodynamically stable over a wide range of temperatures. On the other hand, the complex of a CO molecule on a Au atom substituting surface Fe atoms is thermodynamically stable only in a much more narrow range of values of the O chemical potential under O-rich conditions. In the case of a Au dimer, under O-rich conditions, supported Au atoms at an O-Fe di-vacancy are more stable. However, upon CO adsorption, the complex of a CO molecule and 2 Au atoms located at a single Fe vacancy is more favorable.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Buckling-induced interaction between circular inclusions in an infinite thin plate

Design of slender artificial materials and morphogenesis of thin biological tissues typically involve stimulation of isolated regions (inclusions) in the growing body. These inclusions apply internal stresses on their surrounding areas that are ultimately relaxed by out-of-plane deformation (buckling). Here, we utilize the Föppl-von Kármán model to analyze the interaction between two circular inclusions in an infinite plate that their centers are separated a distance of 2ℓ. In particular, we investigate a region in phase space where buckling occurs at a narrow transition layer of length ℓ D around the radius of the inclusion, $R (ℓ_D \ll R)$. We show that the latter length scale defines two regions within the system, the close separation region, $ℓ – R \sim ℓ_D$, where the transition layers of the two inclusions approximately coalesce, and the far separation region, $ℓ – R \gg ℓ_D$. While the interaction energy decays exponentially in the latter region, $E_{\text{int}} ∝ e^{– (ℓ – R)/ℓ_D}$, it presents nonmonotonic behavior in the former region. While this exponential decay is predicted by our analytical analysis and agrees with the numerical observations, the close separation region is treated only numerically. In particular, we utilize the numerical investigation to explore two different scenarios within the final configuration: The first where the two inclusions buckle in the same direction (up-up solution) and the second where the two inclusions buckle in opposite directions (up-down solution). We show that the up-down solution is always energetically favorable over the up-up solution. In addition, we point to a curious symmetry breaking within the up-down scenario; we show that this solution becomes asymmetric in the close separation region.

42 ENGINEERING↗
DOE OSTI2019

Proximity-dependent proteomics of the Chlamydia trachomatis inclusion membrane reveals functional interactions with endoplasmic reticulum exit sites

Chlamydia trachomatis is the most common bacterial sexually transmitted infection, responsible for millions of infections each year. Despite this high prevalence, the elucidation of the molecular mechanisms of Chlamydia pathogenesis has been difficult due to limitations in genetic tools and its intracellular developmental cycle. Within a host epithelial cell, chlamydiae replicate within a vacuole called the inclusion. Many Chlamydia –host interactions are thought to be mediated by the Inc family of type III secreted proteins that are anchored in the inclusion membrane, but their array of host targets are largely unknown. To investigate how the inclusion membrane proteome changes over the course of an infected cell, we have adapted the APEX system of proximity-dependent biotinylation. APEX is capable of specifically labeling proteins within a 20 nm radius in living cells. We transformed C. trachomatis to express the enzyme APEX fused to known inclusion membrane proteins, allowing biotinylation and pull-down of inclusion-associated proteins. Using quantitative mass spectrometry against APEX labeled samples, we identified over 400 proteins associated with the inclusion membrane at early, middle, and late stages of epithelial cell infection. This system was sensitive enough to detect inclusion interacting proteins early in the developmental cycle, at 8 hours post infection, a previously intractable time point. Mass spectrometry analysis revealed a novel, early association between C. trachomatis inclusions and endoplasmic reticulum exit sites (ERES), functional regions of the ER where COPII-coated vesicles originate. Pharmacological and genetic disruption of ERES function severely restricted early chlamydial growth and the development of infectious progeny. APEX is therefore a powerful in situ approach for identifying critical protein interactions on the membranes of pathogen-containing vacuoles. Furthermore, the data derived from proteomic mapping of Chlamydia inclusions has illuminated an important functional role for ERES in promoting chlamydial developmental growth.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

A crystal plasticity-based study of the relationship between microstructure and ultra-high-cycle fatigue life in nickel titanium alloys

Nickel Titanium (NiTi) alloys are often used in biomedical devices where failure due to mechanical fatigue is common. For other alloy systems, computational models have proven an effective means of determining the relationship between microstructural features and fatigue life. This work will extend the subset of those models which were based on crystal plasticity to examine the relationship between microstructure and fatigue life in NiTi alloys. It will explore the interaction between a spherical inclusion and the material’s free surface along with several NiTi microstructures reconstructed from 3D imaging. This work will determine the distance at which the free surface interacts with an inclusion and the effect of applied strain of surface-inclusion interaction. The effects of inclusion-inclusion interaction, matrix voiding, and matrix strengthening are explored and ranked with regards to their influence on fatigue life.

36 MATERIALS SCIENCE↗
DOE OSTI2012

First-Principles Modeling of Non-Covalent Interactions in Supramolecular Systems: The Role of Many-Body Effects

Supramolecular host–guest systems play an important role for a wide range of applications in chemistry and biology. The prediction of the stability of host–guest complexes represents a great challenge to first-principles calculations due to an interplay of a wide variety of covalent and noncovalent interactions in these systems. In particular, van der Waals (vdW) dispersion interactions frequently play a prominent role in determining the structure, stability, and function of supramolecular systems. On the basis of the widely used benchmark case of the buckyball catcher complex (C60@C60H28), we assess the feasibility of computing the binding energy of supramolecular host–guest complexes from first principles. Large-scale diffusion Monte Carlo (DMC) calculations are carried out to accurately determine the binding energy for the C60@C60H28 complex (26 ± 2 kcal/mol). On the basis of the DMC reference, we assess the accuracy of widely used and efficient density-functional theory (DFT) methods with dispersion interactions. The inclusion of vdW dispersion interactions in DFT leads to a large stabilization of the C60@C60H28 complex. However, DFT methods including pairwise vdW interactions overestimate the stability of this complex by 9–17 kcal/mol compared to the DMC reference and the extrapolated experimental data. A significant part of this overestimation (9 kcal/mol) stems from the lack of dynamical dielectric screening effects in the description of the molecular polarizability in pairwise dispersion energy approaches. The remaining overstabilization arises from the isotropic treatment of atomic polarizability tensors and the lack of many-body dispersion interactions. A further assessment of a different supramolecular system – glycine anhydride interacting with an amide macrocycle – demonstrates that both the dynamical screening and the many-body dispersion energy are complex contributions that are very sensitive to the underlying molecular geometry and type of bonding. We discuss the required improvements in theoretical methods for achieving “chemical accuracy” in the first-principles modeling of supramolecular systems.

Chemistry↗
DOE OSTI2013

Forward physics with the LHCb experiment

Due to its unique pseudorapidity coverage and the ability to perform measurements at low transverse momenta p{sub T}, the LHCb detector allows a unique insight into particle production in the forward region at the LHC. Using large samples of proton-proton collision data accumulated at {radical}(s) = 7TeV, the LHCb collaboration has performed a series of dedicated analyses providing important input to the knowledge of the parton density functions, underlying event activity, low Bjorken-x QCD dynamics and exclusive processes. Some of these are briefly summarised here.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2012

Parametrization of the shape of hadron-production spectra in high-energy particle interactions

The transverse-momentum dependence of inclusive differential cross sections measured in various collider experiments for processes involving the production of long-lived charged hadrons was approximated by the sum of an exponential and a power-law function. The dependence of the parameters appearing in these functions on the colliding-particle energy and type was studied, and relationships between these parameters were established. A number of new regularities in the behavior of charged-particle spectra were discovered.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Measurement of charged-current quasi elastic-like and inclusive muon (anti-) neutrino interactions using NuMI beam the ICARUS detector

The ICARUS experiment, utilizing Liquid Argon Time Projection Chamber (LArTPC) technology, has been successfully taking physics data at Fermilab since June 2022. The experiment's primary objective is to function as the far detector of the Short Baseline Neutrino program (SBN), searching for hints of physics beyond three-flavour PMNS neutrino oscillations. ICARUS also offers other diverse physics capabilities, including searches beyond the standard model and measurements of cross-sections. In addition to being exposed to the Booster Neutrino (BNB) beamline of the SBN experiment, ICARUS sits 795 m downstream and 5.75 degrees off-axis from the NuMI beam line. Due to the off-axis angle between NuMI and ICARUS, coupled with contributions from both pion and kaon decays to neutrino fluxes, interactions of NuMI neutrinos within ICARUS can be detected over a range of several GeV in energy. Measurements of these interactions present unique opportunities to infer neutrino interaction cross sections on an argon nuclear target within an energy range that overlaps both the SBN oscillation search and a significant portion of the DUNE spectrum. This poster will summarize the current status of muon-neutrino and muon-antineutrino charged current inclusive cross section measurements in ICARUS using the FHC and RHC NuMI sample respectively. Such inclusive measurements provide robust benchmarks for the overall interaction rate and muon kinematics, with reduced dependence on hadronic final-state modeling. The measurement of the muon-antineutrino Argon charged current inclusive cross section is particularly exciting and highly relevant for DUNE, given the scarcity of antineutrino-Argon cross section measurements in the literature. In addition, this poster will highlight ICARUS's first measurement of muon-neutrino Argon charged current mesonless final states using both transverse kinematic imbalance (TKI) variables and muon-proton kinematic variables. These measurements provide sensitivity to nuclear effects, final-state interactions, and nucleon correlations in argon, offering important constraints for improving neutrino interaction modeling for upcoming DUNE.

Roy, Promita [Fermilab; Virginia Tech.]↗
DOE OSTI2022

Measurement of Charged Current Inclusive $\bar{V}_\mu$ Interactions and 2p2h Contribution Using the NOvA Near Detector

More precise measurements of the scattering of antineutrinos on nuclei in the few GeV region of incident energy, $E_{\nu}$, can reveal new aspects of $v/\bar{v}$ interactions and of nuclear structure, while providing information crucial to continued progress by neutrino oscillation experiments. This Thesis reports an investigation of charged current $\bar{v}_\mu$ interactions in the predominantly hydrocarbon medium of the NOvA Near Detector. The data are obtained with the detector exposed to a narrow-band $\bar{v}$ µ beam with spectral peak at E ν = 2.0 GeV, for a total accumulated exposure of 12.5×10$^{20}$ protons-on-target. The analysis expresses results in terms of three-momentum transfer,|$\vec{q}$| and available hadronic energy, $E$ avail . These variables approximate (q 0 , |$\vec{q}$|), the variables used in theoretical treatments of lepton scattering on multi-nucleon systems such as in 2-particle-2-hole (2p2h) processes. This Thesis delivers two core measurements: Firstly, the double-dierential cross section $d^2σ/d|\vec{q} |dE_{avail}$ for inclusive CC $\bar{v}_\mu$ interactions in the NOvA detector medium is obtained. The cross section has a roughly gaussian shape in its projection onto |$\vec{q}$|, while being largely concentrated at values of $E$ avail below 100 MeV. The single diferential cross sections dσ/d|$\vec{q}$| and dσ/dE avail are also obtained, and are compared to predictions based on the GENIE v3.0.6 neutrino generator augmented with four different implementations of 2p2h reactions. Secondly, the contribution of 2p2h reactions to the CC inclusive scattering sample is determined. Its presence is characterized in terms of double-differential and single-differential cross sections. The latter 2p2h distributions are compared to predictions from two experimental data-tune models and from two theory-based models, namely the SuSAv2 model and the Valencia model. Both of the theoretical models underpredict the measured cross-section strength and predict a shape for dσ/d|$\vec{q}$| that is flatter than the measured shape. Thus, this Thesis provides new information about CC antineutrino-nucleus scattering in the vicinity of Eν ~ 2 GeV, and it highlights improvements that are needed in theoretical treatments of 2p2h reactions.

43 PARTICLE ACCELERATORS↗
DOE OSTI2015

Coherent and neutral pion production results from MINERνA

MINERνA is a neutrino-nucleus scattering experiment employing multiple nuclear targets. The experiment is studying neutral pion production due to coherent, resonant and deep-inelastic processes, from both charged current and neutral current reactions. Neutral pions are detected through their two photon decay and the resultant electromagnetic showers. We will describe the analysis for the cross sections of inclusive and exclusive processes.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Branching Fraction and CP Asymmetry Measurements in Inclusive B → X s ℓ⁺ℓ⁻ and B → X s γ Decays from BABAR

We present an update on total and partial branching fractions and on CP asymmetries in the semi-inclusive decay B → X s ℓ⁺ℓ - . Further, we summarize our results on branching fractions and CP asymmetries for semi-inclusive and fully-inclusive B → X s γ decays. We present the first result on the CP asymmetry difference of charged and neutral B → X s γ decays yielding the first constraint on the ratio of Wilson coefficients Im(C 8 eff /C 7 eff ).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Systematic muon capture rates in PQRPA

In this work we performed a systematic study of the inclusive muon capture rates for several nuclei with A < 60 using the Projected Random Quasi-particle Phase Approximation (PQRPA) as nuclear model, because it is the only RPA model that treats the Pauli Principle correctly. We reckon that the comparison between theory and data for the inclusive muon capture is not a fully satisfactory test on the nuclear model that is used. The exclusive muon transitions are more robust for such a purpose.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗