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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Voltage-controlled long-range propagation of indirect excitons in a van der Waals heterostructure

Indirect excitons (IXs), also known as interlayer excitons, can form the medium for excitonic devices whose operation is based on controlled propagation of excitons. Here, a proof of principle for excitonic devices was demonstrated in GaAs heterostructures where the operation of excitonic devices is limited to low temperatures. IXs in van der Waals transition-metal dichalcogenide (TMD) heterostructures are characterized by high binding energies making IXs robust at room temperature and offering an opportunity to create excitonic devices operating at high temperatures suitable for applications. However, a characteristic feature of TMD heterostructures is the presence of moiré superlattice potentials, which are predicted to cause modulations of IX energy reaching tens of meV. These in-plane energy landscapes can lead to IX localization, making IX propagation fundamentally different in TMD and GaAs heterostructures and making uncertain whether long-range IX propagation, sufficiently long to allow for creating elaborate excitonic devices and circuits, can be realized in TMD heterostructures. In this work, we realize long-range IX propagation with the 1/e IX luminescence decay distances reaching 13 microns in a MoSe 2 /WSe 2 heterostructure. We trace the IX luminescence along the IX propagation path. In the presented TMD materials, the long-range IX propagation occurs up to ~50 K. This is a step toward the room temperature operation, which can be realized in TMD heterostructures due to the high IX binding energy. We also realize control of the long-range IX propagation by voltage. The IX luminescence signal in the drain of an excitonic transistor is controlled within 40 times by gate voltage. The control of the IX propagation in the MoSe 2 /WSe 2 heterostructure is governed by new mechanisms, beyond the mechanism for controlling IX transport by an energy barrier to IX propagation (or a trap for IXs) created by the gate electrode, known since the studies of GaAs heterostructures. We discuss the origin of the voltage-controlled long-range IX propagation in the MoSe 2 /WSe 2 heterostructure, in particular, the electric-field control of the moiré potential.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Unraveling nonperturbative QCD with transverse momentum hadronic structures

The main purpose of this thesis is to investigate the theoretical foundations of the factorization theorems that involve transverse quark and gluon momentum distributions, and to better understand the interface between foundational questions and phenomenological applications. Many of these applications involve using transverse parton momentum dependent (TMD) correlation functions as tools for probing the complex nonperturbative structures of the hadrons. We first introduce the concepts of collinear and TMD factorization in a toy-model theory and, by leveraging the comparative simplicity of such a model, we test the range of validity and limitations of the factorization approach. At the same time, we introduce the conventional approaches that are adopted for the phenomenological extractions of the TMD distributions, and catalog the advantages and disadvantages. Following the general theoretical framework of factorization, we then develop a different approach to TMD phenomenology that is able to systematically integrate the perturbative and non perturbative information in parametrizations of TMD distributions, while being completely consistent with their operator definitions and the predictions of QCD, including their nontrivial evolution. The name Hadron Structure Oriented approach, or HSO, is coined in order to emphasize the central role of the nonperturbative nature of QCD and its relation to the partonic structure of hadrons. Finally, we provide a first phenomenological implementation of the HSO approach by extracting TMD distributions relying on low-to-moderate energy Drell-Yan data. The quality and robustness of the results are then compared against higher energy processes like high-Q2 Z0 boson production. Our analysis demonstrates the feasibility of this novel approach and points the way toward the improvements it can achieve in future applications.

Rainaldi, Tommaso [Old Dominion Univ., Norfolk, VA↗
DOE OSTI2021

Open-Loop Control of Adjustable Tuned Mass Dampers for Floating Wind Turbine Platforms: Preprint

Floating offshore wind turbines have several advantages over their land-based counterparts, including access to stronger, more consistent winds and proximity to population centers. However, increased costs from the platform have been a challenge inhibiting their widespread adoption. New damping technologies with tunable target frequencies and damping ratios promise a greater degree of control over platform motions, allowing hulls to be designed smaller and reducing the overall cost of the turbines. In this work, a control strategy is proposed for these adjustable tuned mass dampers (TMDs). A frequency-domain model of the system is developed, from which response amplitude operators (RAOs) for the platform's rigid-body modes can be obtained for different natural frequencies and damping ratios of the dampers. Using these RAOs, and JONSWAP spectrums of operational and extreme sea states, the performance of the various damper settings are compared by evaluating the standard deviation of a rigid-body motion of interest (platform pitch or heave). By finding the optimal damper setting for a range of representative design load cases (DLCs), a lookup function is made to return the damper target frequency given the peak period of the sea state. To determine the current sea state, we propose a simple estimator that uses wave measurements (e.g., from a measurement buoy) to determine the peak period and significant wave height. The significant wave height is determined using the statistics of the past 100 seconds of wave elevation information and the peak period is computed using a frequency locked loop. Initial results show that we can use these estimated values to control the TMD natural frequency with an open loop controller. The controlled system is tested in a range of environmental conditions determined by the International Electrotechnical Commission design load cases (DLCs), which include normal and extreme wind and wave models. In these tests, we compare the performance of 4 cases: (1) no TMD, (2) a constant TMD based on the worst case DLC, (3) a controlled TMD based on known wind and wave environments, and (4) a real-time controlled TMD using estimated wind and wave environments. The effect of hull-based TMD control is also compared to changes in traditional wind turbine control via blade pitch.

control↗
DOE OSTI2023

Transition Metal Dichalcogenides: Making Atomic‐Level Magnetism Tunable with Light at Room Temperature

Abstract The capacity to manipulate magnetization in 2D dilute magnetic semiconductors (2D‐DMSs) using light, specifically in magnetically doped transition metal dichalcogenide (TMD) monolayers ( M ‐doped TX 2 , where M = V, Fe, and Cr; T = W, Mo; X = S, Se, and Te), may lead to innovative applications in spintronics, spin‐caloritronics, valleytronics, and quantum computation. This Perspective paper explores the mediation of magnetization by light under ambient conditions in 2D‐TMD DMSs and heterostructures. By combining magneto‐LC resonance (MLCR) experiments with density functional theory (DFT) calculations, we show that the magnetization can be enhanced using light in V‐doped TMD monolayers (e.g., V‐WS 2 , V‐WSe 2 ). This phenomenon is attributed to excess holes in the conduction and valence bands, and carriers trapped in magnetic doping states, mediating the magnetization of the semiconducting layer. In 2D‐TMD heterostructures (VSe 2 /WS 2 , VSe 2 /MoS 2 ), the significance of proximity, charge‐transfer, and confinement effects in amplifying light‐mediated magnetism is demonstrated. We attributed this to photon absorption at the TMD layer that generates electron–hole pairs mediating the magnetization of the heterostructure. These findings will encourage further research in the field of 2D magnetism and establish a novel design of 2D‐TMDs and heterostructures with optically tunable magnetic functionalities, paving the way for next‐generation magneto‐optic nanodevices.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Transverse momentum distributions of heavy hadrons and polarized heavy quarks

We initiate the study of transverse momentum-dependent (TMD) fragmentation functions for heavy quarks, demonstrate their factorization in terms of novel nonperturbative matrix elements in heavy-quark effective theory (HQET), and prove new TMD sum rules that arise from heavy-quark spin symmetry. We discuss the phenomenology of heavy-quark TMD FFs at B factories and find that the Collins effect, in contrast to claims in the literature, is not parametrically suppressed by the heavy-quark mass. We further calculate all TMD parton distribution functions for the production of heavy quarks from polarized gluons within the nucleon and use our results to demonstrate the potential of the future EIC to resolve TMD heavy-quark fragmentation in semi-inclusive DIS, complementing the planned EIC program to use heavy quarks as probes of gluon distributions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

High-specific-power flexible transition metal dichalcogenide solar cells

Abstract Semiconducting transition metal dichalcogenides (TMDs) are promising for flexible high-specific-power photovoltaics due to their ultrahigh optical absorption coefficients, desirable band gaps and self-passivated surfaces. However, challenges such as Fermi-level pinning at the metal contact–TMD interface and the inapplicability of traditional doping schemes have prevented most TMD solar cells from exceeding 2% power conversion efficiency (PCE). In addition, fabrication on flexible substrates tends to contaminate or damage TMD interfaces, further reducing performance. Here, we address these fundamental issues by employing: (1) transparent graphene contacts to mitigate Fermi-level pinning, (2) MoO x capping for doping, passivation and anti-reflection, and (3) a clean, non-damaging direct transfer method to realize devices on lightweight flexible polyimide substrates. These lead to record PCE of 5.1% and record specific power of 4.4 W g −1 for flexible TMD (WSe 2 ) solar cells, the latter on par with prevailing thin-film solar technologies cadmium telluride, copper indium gallium selenide, amorphous silicon and III-Vs. We further project that TMD solar cells could achieve specific power up to 46 W g −1 , creating unprecedented opportunities in a broad range of industries from aerospace to wearable and implantable electronics.

42 ENGINEERING↗
DOE OSTI2023

Anodic Dissolution Rates Accelerate with Decreasing MoS 2 Nanoflake Thickness

Electrochemical gating of 2D transition metal dichalcogenide (TMD) electrodes is an emerging frontier in the field of semiconductor electrochemistry. In this approach, an applied bias modifies the charge carrier concentration of the 2D TMD, causing band edge shifts and drastic changes in charge transfer rates. However, leveraging this effect for (photo)electrocatalysis is practically limited by the stability of the TMD material under gating conditions. Gerischer showed anodic dissolution of bulk TMD electrodes can occur in the dark and hypothesized that the reaction proceeds via an electron tunneling mechanism from surface states to the TMD conduction band [H. Gerischer, D. Ross, and M. Lubke, Z. Physickalische Chem., 139, 1 (1984)]. Here we investigate this possibility in single MoS 2 nanoflakes using in situ optical microscopy and explore whether Gerischer’s electron tunneling mechanism can explain anodic dissolution rates of thin 2D semiconductors. Here, spatially resolved measurements show anodic dissolution initiates at perimeter edge sites and accelerates exponentially with decreasing layer thickness, consistent with Gerischer’s tunneling mechanism. Interestingly, single layer MoS 2 is impervious to anodic dissolution at applied potentials >200 mV more positive than those required to drive dissolution in bulk and multilayer-thick nanoflakes.

2D semiconductor↗
DOE OSTI2023

Quantum Transport in 2D Semiconductors

Leveraging progress in synthesis of ultra-pure transition metal dichalcogenide (TMD) crystals, our team has made key breakthroughs in the study of quantum states in two-dimensional (2D) TMD semiconductors. Using a capacitance spectroscopy technique, we have observed the first signatures of fractional quantum Hall states in monolayer WSe 2 and clear signatures of interlayer exciton condensates in bilayer WSe 2 . In a transport study of bilayer WSe 2 , we report observation of spin-selective magneto-conductivity in WSe 2 . To improve electrical transport studies, we have focused on metal-TMD contacts by studying the behavior of metal-TMD contacts in the clean limit, and developing a new contact doping technique that achieves Ohmic contact down to low temperature and low carrier density. Using this new technique, we study electrical transport in monolayer WSe 2 down to low temperature and low carrier density, finding record-high hole mobility and evidence of a metal-insulator transition at low density. Under high magnetic fields, we observe clear signatures of fractional quantum Hall effect in transport for the first time in a TMD.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

QCD Theory and Transverse Momentum Dependent Physics

A major challenge for QCD theorists is to understand how to different categories of QCD physics contribute to a single observable. This is the goal of QCD factorization theory. Today, QCD physicists are tasked with describing increasingly detailed properties of transverse momentum dependent particle distributions, including their shapes and normalizations, their variation with energy and other kinematical variables, the identity of particles involved, correlations with spin, and the relationship between transverse momentum distributions in different processes. Embedded within that broad effort are specific fundamental questions at the heart of QCD theory. Namely, how does one give precise, quantitative meaning to quark and gluon concepts in hard scattering events, and what are the limits of those concepts? In the past two decades, there has been a renaissance in TMD QCD, with a broad spectrum of motivations driving the study of TMD observables. TMD QCD studies are in a transformative stage; subfields that traditionally progressed nearly independently of one other, such as hadronic structure studies and the study of perturbative QCD gluon radiation in high-energy collisions, are becoming intertwined. It is thus becoming increasingly clear that unified approaches -- those that incorporate all the relevant phenomena into a single formalism rooted in QCD fundamentals -- will be critical to the mission to expand the current understanding of QCD nuclear/hadronic dynamics. TMD QCD factorization theorems and their generalizations will be central to these efforts. The factorization theorems, in addition, provide the practical prescription for applying specific calculations to phenomenology. The goal of this project was to unify and push the boundaries of traditional TMD research and prepare it for use in future phenomenological applications.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Parton distributions and lattice-QCD calculations: Toward 3D structure

The strong force which binds hadrons is described by the theory of quantum chromodynamics (QCD). Determining the character and manifestations of QCD is one of the most important and challenging outstanding issues necessary for a comprehensive understanding of the structure of hadrons. Within the context of the QCD parton picture, the parton distribution functions (PDFs) have been remarkably successful in describing a wide variety of processes. However, these PDFs have generally been confined to the description of collinear partons within the hadron. New experiments and facilities provide the opportunity to additionally explore the transverse structure of hadrons which is described by generalized parton distributions (GPDs) and transverse-momentum-dependent parton distribution functions (TMD PDFs). In our previous report Lin et al. (2018), we compared and contrasted the two main approaches used to determine the collinear PDFs: the first based on perturbative QCD factorization theorems, and the second based on lattice-QCD calculations. In the present report, we provide an update of recent progress on the collinear PDFs, and also expand the scope to encompass the generalized PDFs (GPDs and TMD PDFs). We review the current state of the various calculations, and consider what new data might be available in the near future. We also examine how a shared effort can foster dialog between the PDF and lattice-QCD communities, and yield improvements for these generalized PDFs.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Segmentation of RDX and TNT in X‐Ray Computed Tomography Reconstructions of Melt‐Cast Explosives

ABSTRACT Three‐dimensional mesoscale characterization of heterogeneous melt‐cast high explosives is challenging because of the difficulty differentiating binder from explosive crystals: two functionally different materials which are typically similar in density by design. Here, we report an algorithm which can differentiate hexahydro‐1,3,5‐trinitro‐1,3,5‐triazine (RDX) from 2,4,6‐trinitrotoluene (TNT) in x‐ray computed tomography (CT) volumes with tens of microns resolution. This method allows us to quantify RDX/TNT content, porosity, and RDX domain size. We calibrated the segmentation algorithm using simulated x‐ray CT volumes containing object models of RDX crystals within a TNT matrix. We then segmented and analyzed CT data for Composition B (Comp B), a 60/40 RDX/TNT mixture, and Cyclotol, a 75/25 RDX/TNT mixture. We examined melt‐cast samples fabricated with 100% theoretical maximum density (TMD) and 85% TMD. For the 100% TMD Comp B and Cyclotol samples, the RDX content values calculated by segmentation were 3% and 9% lower, respectively, than the values measured by high‐performance liquid chromatography on material from the same synthesis lots. This result is consistent with the expected underreporting of RDX content resulting from x‐ray CT resolution limits on RDX particles with diameters smaller than 25 µm. The 85% TMD samples were less accurately segmented with our algorithm due to the confounding presence of voids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Gluon splitting at small x: a unified derivation for the JIMWLK, DGLAP and CSS equations

We revisit the calculation of the next-to-leading order (NLO) corrections to dijet production in electron-ion collisions at small x. We focus on the back-to-back configuration where the relative transverse momentum P ⊥ of the measured jets is much larger than both their momentum imbalance K ⊥ and the target saturation momentum Q s (x, A). In this regime, we present for the first time a complete calculation of the real NLO corrections, associated with gluon emissions outside the jet cones, at leading power in 1/P ⊥ . Our result exhibits TMD factorisation, with the same hard factor as at tree-level and a NLO correction to the Weiszäcker-Williams (WW) gluon transverse momentum dependent (TMD) distribution which involves four Wilson-line operators. By studying different kinematical regimes for K ⊥ and for the radiated gluon, we recover all the quantum evolutions that were previously identified for this process at NLO: the B-JIMWLK high-energy evolution and the CSS evolution of the gluon WW TMD, and the DGLAP evolution of the gluon PDF. When both K ⊥ and the transverse momentum transferred by the target are large compared to Q s , all the Wilson-line operators boil down to the unintegrated gluon distribution and our NLO result for the gluon TMD can be used to isolate the transverse-momentum dependent gluon splitting function.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Disentangling long and short distances in momentum-space TMDs

The extraction of nonperturbative TMD physics is made challenging by prescriptions that shield the Landau pole, which entangle long- and short-distance contributions in momentum space. The use of different prescriptions then makes the comparison of fit results for underlying nonperturbative contributions not meaningful on their own. We propose a model-independent method to restrict momentum-space observables to the perturbative domain. This method is based on a set of integral functionals that act linearly on terms in the conventional position-space operator product expansion (OPE). Artifacts from the truncation of the integral can be systematically pushed to higher powers in Λ QCD /k T . We demonstrate that this method can be used to compute the cumulative integral of TMD PDFs over k T ≤ k$^{cut}_{T}$ in terms of collinear PDFs, accounting for both radiative corrections and evolution effects. This yields a systematic way of correcting the naive picture where the TMD PDF integrates to a collinear PDF, and for unpolarized quark distributions we find that when renormalization scales are chosen near k$^{cut}_{T}$, such corrections are a percent-level effect. We also show that, when supplemented with experimental data and improved perturbative inputs, our integral functionals will enable model-independent limits to be put on the non-perturbative OPE contributions to the Collins-Soper kernel and intrinsic TMD distributions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Transverse momentum-dependent heavy-quark fragmentation at next-to-leading order

The transverse momentum-dependent fragmentation functions (TMD FFs) of heavy (bottom and charm) quarks, which we recently introduced, are universal building blocks that enter predictions for a large number of observables involving final-state heavy quarks or hadrons. They enable the extension of fixed-order subtraction schemes to quasi-collinear limits, and are of particular interest in their own right as probes of the nonperturbative dynamics of hadronization. In this paper we calculate all TMD FFs involving heavy quarks and the associated TMD matrix element in heavy-quark effective theory (HQET) to next-to-leading order in the strong interaction. Our results confirm the renormalization properties, large-mass, and small-mass consistency relations predicted in our earlier work. We also derive and confirm a prediction for the large-z behavior of the heavy-quark TMD FF by extending, for the first time, the formalism of joint resummation to capture quark mass effects in heavy-quark fragmentation. Our final results in position space agree with those of a recent calculation by another group that used a highly orthogonal organization of singularities in the intermediate momentum-space steps, providing a strong independent cross check. As an immediate application, we present the complete quark mass dependence of the energy-energy correlator (EEC) in the back-to-back limit at $\mathcal{O}\left({\alpha}_s\right)$.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Transverse-energy-energy correlations in deep inelastic scattering

Event shape observables have been widely used for precision QCD studies at various lepton and hadron colliders. We present the most accurate calculation of the transverse-energy-energy correlation event shape variable in deep-inelastic scattering. In the framework of soft-collinear effective theory the cross section is factorized as the convolution of the hard function, beam function, jet function and soft function in the back-to-back limit. A close connection to TMD factorization is established, as the beam function when combined with part of the soft function is identical to the conventional TMD parton distribution function, and the jet function is the second moment of the TMD fragmentation function matching coefficient. We validate our framework by comparing the obtained LO and NLO leading singular distributions to the full QCD calculations in the back-to-back limit. We report the resummed transverse-energy-energy correlation distributions up to N 3 LL accuracy matched with the NLO cross section for the production of a lepton and two jets. Our work provides a new way to precisely study TMD physics at the future Electron-Ion Collider.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Dihadron correlations in small- x DIS at NLO: transverse momentum dependent fragmentation

We compute the inclusive dihadron cross-section in Deep Inelastic Scattering at next-to-leading order (NLO) and small x in the Color Glass Condensate. We focus on the kinematic limit where the hadrons are produced at forward rapidities (in the direction of the virtual photon) and back-to-back in the transverse plane. Our calculation demonstrates that the coefficient of the Sudakov double logarithm for this process is –$\frac{αs}{2π}$ [C F + $\frac{Nc}{2}$] instead of –$\frac{αsNc}{4π}$ when back-to-back jets are measured in the final state. To preserve the universality of the Sudakov soft factor associated with the Weizsäcker-Williams transverse momentum dependent (TMD) gluon distribution, we promote the collinear fragmentation functions into TMD fragmentation functions. We then perform the resummation of the Sudakov logarithms through Collins-Soper-Sterman evolution of the TMD fragmentation functions and the Weizsäcker-Williams TMD gluon distribution. Finally, analytic expressions are obtained for the NLO coefficient functions in the $\overline{MS}$-scheme. These results pave the way towards numerically calculating dihadron correlations at small x at the future Electron-Ion Collider with full NLO accuracy.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Parton Energy Loss in the Generalized High-Twist Approach

In this work, we calculate the radiative parton energy loss in the deeply inelastic scattering (DIS) off a large nucleus within a generalized high-twist approach. The final gluon radiation spectrum is a convolution of the hard partonic part and the transverse momentum dependent (TMD) quark-gluon correlation function, without the twist expansion in the transverse momentum of the initial gluons used in original high twist approach. The TMD quark-gluon correlation function can be factorized approximately as the product of initial quark distribution and TMD gluon distribution which can be used to define the generalized or TMD jet transport coefficient. The radiation spectrum will recover the Gylassy-Levai-Vitev (GLV) result in the first order of the opacity expansion, under the static scattering center and soft gluon radiation approximation. We also investigate numerically the difference as a result of the soft gluon radiation approximation, under the static scattering center approximation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Quantum Photon Sources in WSe 2 Monolayers Induced by Weakly Localized Strain Fields

Quantum emitters in semiconductor transition metal dichalcogenide (TMD) monolayers hold great promise for many quantum optics applications due to the intriguing properties afforded by the host materials. The creation of localized excitonic states in two-dimensional semiconductors is also fundamentally interesting. Local strain engineering of TMD monolayers has been attested to be a viable approach for creating quantum emitters. However, despite the ubiquitous existence of local topography variations in the structures used to create strain gradients in the TMD monolayers, an understanding of their influence on the strain fields and exciton trapping is notably lacking, especially on the nanoscale. In this study, we investigate WSe 2 monolayers deposited on the edges of asfabricated trenches, which are deemed to induce 1D delocalized strain profiles in the monolayers, and observe optical signatures of weakly confined excitonic states supporting biexciton emission. Here, our numerical simulations of the strain distributions suggest that the quantum emitters originate from quasi-1D like localized strain profiles induced by local topography variations at the trench edges. These findings have strong implications toward the controlled creation of quantum emitters in TMD monolayers and their efficient coupling to photonic structures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗