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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 559 records · Page 31
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DOE OSTI2025

Isotope-dependent Tafel analysis probes proton transfer kinetics during electrocatalytic water splitting

Proton transfer plays an important role in both hydrogen and oxygen evolution reactions during electrocatalytic water splitting to produce green hydrogen. However, directly adapting the conventional proton/deuterium kinetic isotope effect to study proton transfer in heterogeneous electrocatalytic processes is challenging. Here we propose using the shift in the Tafel slope between protic and deuteric electrolytes, or the Tafel slope isotope effect, as an effective probe of proton transfer characteristics. Comparison of the Tafel slope isotope effect for diverse hydrogen and oxygen evolution reaction electrocatalysts in different pH environments reveals that proton transfer is both pH and structure dependent. Using ruthenium oxide as an example, we show that local structure modification can change the rate-determining step from an electrochemical, concerted proton–electron transfer step to a chemical step and improve the oxygen evolution activity in acid. The isotope-dependent Tafel analysis will facilitate a better understanding of the proton transfer behaviours during electrocatalytic processes and provide guidance for designing efficient electrocatalysts.

Chemistry↗
DOE OSTI2025

Large moiré superstructure of stacked incommensurate charge density waves

This article reports how two different charge density waves with slightly different wavevectors can exist in the same crystal and create moiré superstructure. Advances in heterostructure fabrication have opened new frontiers in moiré physics. Here we extend moiré engineering from artificially assembled thin flakes with mismatched lattice parameters to materials that host incommensurate orders, presenting a long-period moiré superlattice in a layered charge-density-wave compound, EuTe 4 . Using high-momentum-resolution X-ray diffraction, we found two coexisting incommensurate charge density waves with slightly mismatched in-plane wavevectors. The interaction between these two charge density waves leads to joint commensuration with the lattice and a moiré superstructure with a period of ~13.6 nm, offering key insights into the unique properties of EuTe4, such as the temperature-invariant incommensurate wavevectors and unconventional in-gap states. Owing to interlayer phase shifts, the moiré superstructure exhibits a clear thermal hysteresis, accounting for the large hysteresis in electrical resistivity and numerous metastable states. Our findings open new directions for moiré engineering based on incommensurate lattices and highlight the important role of interlayer ordering in stacked structures.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Superconducting gap of H 3 S measured by tunnelling spectroscopy

Several hydrogen-rich superconductors have been found to show unprecedentedly high critical temperatures, stimulating investigations into the nature of the superconductivity in these materials. Although their macroscopic superconducting properties are established, microscopic insights into the pairing mechanism remains unclear. Here we characterize the superconducting gap structure in the high-temperature superconductor H 3 S and its deuterium counterpart D 3 S by performing tunnelling spectroscopy measurements. The tunnelling spectra reveal that H 3 S and D 3 S both have a fully gapped structure, which could be well described by a single s-wave Dynes model, with gap values 2Δ of approximately 60 meV and 44 meV, respectively. Furthermore, we observed gap features of another likely H-depleted H x S superconducting phase in a poorly synthesized hydrogen sulfide sample. Our work offers direct experimental evidence for superconductivity in the hydrogen-rich superconductor H 3 S from a microscopic perspective. It validates the phonon-mediated mechanism of superconducting pairing and provides a foundation for further understanding the origins of high-temperature superconductivity in hydrogen-rich compounds.

36 MATERIALS SCIENCE↗
DOE OSTI2026

350 ps Ultrafast room-temperature scintillation realized on CsPbBr 3 -based single crystals via Br 2 over-doping

Ultrafast scintillators are essential for next-generation radiation detection, positron emission tomography, and high-speed medical imaging. All-inorganic CsPbBr 3 perovskites are attractive candidates because of their high stopping power, and excellent optical quality, yet their long carrier lifetimes result in slow scintillation responses on the order of hundreds of nanoseconds. Here, we demonstrate that controlled over-doping with Br 2 produces CsPbBr 3.03 single crystals with sub-nanosecond scintillation at room temperature while preserving crystal quality. Single crystals grown by the Bridgman method exhibit high transparency and maintain the orthorhombic perovskite structure. Br 2 over-doping induces a slight lattice expansion (about 0.42% increase in unit-cell volume) while maintaining the orthorhombic perovskite phase and high optical transparency. Optical absorption reveals a slight redshift of the absorption edge after Br 2 introduction, indicating a modified defect landscape. Time-resolved photoluminescence and radioluminescence measurements show that Br 2 doping creates dense and efficient recombination centers that reduce the scintillation decay time from more than 100 ns in undoped crystals to 350 ps under 5.486 MeV α-particle excitation, and the scintillation decay time decreases by two orders of magnitude. The doped crystals also achieve a spatial resolution of 12 lp mm −1 in X-ray imaging. These results reveal a defect-engineering route for achieving ultrafast scintillation in halide perovskites and highlight the potential of Br 2 -modified CsPbBr 3 for fast timing applications.

Li, Zongxiao [Chinese Academy of Sciences (CAS), N↗
DOE OSTI2025

Reconstruction of current profiles from external magnetic and MSE measurements on DIII-D

This work introduces a new current model into the EFIT code for plasma current profile reconstruction. Using this model, edge-localized current density profiles are reconstructed solely from external magnetic measurements. Quantitative comparisons show that edge current profiles obtained with the new current model align closely with those from kinetic equilibrium reconstruction. The new model enables current density reconstruction with fewer diagnostics than kinetic equilibrium reconstruction (Lao et al 1990 Nucl. Fusion 30 1035–49), demonstrating that edge-localized current density information can be obtained from external magnetic measurements only, without the help of kinetic profiles and internal diagnostics, and without using the bootstrap current model. Furthermore, with the constraints of external magnetic and MSE measurements, current profiles in full radius obtained from the new model are in good agreement with the results of kinetic equilibrium reconstruction, which not only improves the efficiency of current reconstruction but also helps avoid possible errors caused by different kinds of diagnoses. Possible applications are also discussed, and a brief analysis of the evolution of the full-radius current density is performed. Noticeable decreases in both the magnitude and gradient of the edge current around the time of ELM bursts are observed. Moreover, analysis of the full radius current density profiles ( ρ N = 0 − 1.0, ρN denotes to square root of the normalized toroidal flux) reveals that as the edge current changes, the inner current also changes following a sinusoidal-like pattern at almost all time slices during four type-I ELMs in discharge 161493. The current evolution in the inner region ( ρ N = 0.2 − 0.6) is synchronized with the boundary region ( ρ N = 0.89 − 1.0), while the intermediate region ( ρ N = 0.6 − 0.89) shows opposite behavior. This sinusoidal-like variations in full-radius current density profile indicates strong core-pedestal coupling, suggesting ELMs significantly affect core plasmas, though current changes manifest differently across radial regions.

EFIT↗
DOE OSTI2026

Multi-machine validation of plasma initiation modelling and prospects for future devices: Predicting plasma initiation using only hardware design and control room input data

This paper reports on the generic prediction capability of full electromagnetic plasma initiation modelling with DYON, which was carried out for the first time in fusion research by the joint modelling of the International Tokamak Physics Activity—Integrating Operation Scenario group. The following devices were included in the experiment database: VEST (spherical torus, copper coils, Stainless steel wall, R/a = 0.3 m/0.2 m, V v = 3.7 m 3 ), MAST-U (spherical torus, copper coils, C wall, R/a = 0.7 m/0.5 m, V v = 55 m 3 ), EAST (conventional tokamak, superconducting coils, metallic wall, R/a = 1.85 m/0.5 m, V v = 38 m 3 ), DIII-D (conventional tokamak, copper coils, C wall, R/a = 1.67 m/0.65 m, V v = 35 m 3 ), and KSTAR (conventional tokamak, superconducting coils, C wall, R/a = 1.8 m/0.5 m, V v = 55 m 3 ). Despite the different hardware features of the devices, the required operating spaces of the loop voltage induction and prefill gas pressure for inductive plasma initiation in each device were successfully reproduced by the predictive simulations with DYON using only the individual hardware design and the control room input data for each discharge. This successful validation across multiple machines demonstrates that the full electromagnetic DYON modelling can capture the essential physics of inductive plasma initiation. The simulation settings commonly employed for all modelling and the modifications necessary to account for the discrepancies between individual devices are reported. Predictions for ITER based on the multi-machine validation indicate that a wide range of prefill gas pressures exists for the Townsend breakdown and the plasma burn-through (0.01–1.5 mPa).

DYON↗
DOE OSTI2026

Overview of the ASDEX Upgrade results

After a 26-month vent ASDEX Upgrade (AUG) went back in operation with a newly designed upper W-divertor suitable for alternative divertor configurations (featuring in-vessel coils and cryo-pump). Parameter scans and an extensive set of measurements were obtained and their interpretation is ongoing. Prompted by the ITER wall change, dedicated experiments on non-boronized plasma startup were contrasted to that employing asymmetric and more symmetric boronizations. The asymmetric boronization proved to be as beneficial as the more symmetric one, which is in contrast to previous model calculations assuming perfect sticking of boron (measurements suggest sticking ≈ 0.3). In the startup phase also the impurity influxes at the outboard limiters were investigated contrasting the unboronized case featuring cold edges (low- Z radiation) to the boronized case, in which the lifetime of the boron layers could be estimated. Pedestal stability investigations revealed that the quasi-continuous exhaust (QCE) regime is obtained when ballooning modes are active in the vicinity of the separatrix and the global peeling-ballooning stability is high enough. Thus, at high enough shaping and high gas flux both can be achieved and QCE is a consequence. The closely related enhanced D-alpha (EDA) mode is not clearly distinguishable from QCE, e.g. the quasi-coherent mode characteristic for EDA also shows up in QCE. In QCE the impurity transport is behaving benign as could be measured for Ne with a novel analysis method making use of a comprehensive set of CXRS measurements. For high radiative fractions the regime of the X-point radiator (XPR) is accessible at AUG and the understanding of its access conditions and behaviour is further developed. Due to the localized radiative cooling at the X-point the XPR can be well diagnosed and thus controlled. For negative triangularity shapes, further experiments at increased shaping resulted in strongly heated L-mode plasmas avoiding ELMs. Two integrated modelling approaches towards ITER suggested that core W-accumulation will be no issue for ITER and that the fusion yield in ITER may be Q = 12 (i.e. ITPA20-IL scaling is too pessimistic). Further, investigations of the ITER ramp-down in AUG provide insights into maintaining position control. Various aspects of shattered pellet injection were investigated in AUG and one of the results show that with increasing Ne fraction the radiation during the current quench increases and the current decay becomes faster.

ASDEX Upgrade↗
DOE OSTI2026

Overview of the MAST Upgrade physics programme: testing novel concepts at low aspect ratio to inform future devices

The research programme performed on the Mega Amp Spherical Tokamak (MAST) Upgrade experiment has made significant advances in developing the physics understanding of low aspect ratio tokamaks in support of the operation of ITER and design of fusion powerplants. High performance plasma scenarios have been developed to facilitate a broad programme of experiments, in which confinement is constrained by the presence of m/n = 2/1 modes that cause substantial losses of fast ions. The onset of these modes coincides with the q = 2 surface residing in a local minimum in the toroidal current density profile. The maximum electron temperature at the pedestal top, T e,ped is limited with gas fuelling to ∼350 eV to maintain regular ELMs; higher T e,ped results in a transition to a non-stationary ELM-free regime. The operational space of spherical tokamaks has been expanded into small and ELM-free regimes. Strong shaping of the last closed flux surface can induce a transition from large to small ELMs, and ELM suppression with resonant magnetic perturbations has been observed for the first time in a low aspect ratio tokamak. Negative triangularity shaping has induced a transition from ELMy H-mode to a high-performance L-mode regime for the first time in a low aspect ratio tokamak. In studies of fast ion confinement, losses of fast particles due to Global Alfvén Eigenmodes have been identified. Interactions between fast ions generated by off-axis neutral beam injection and thermal neutrals can result in significant losses of fast ions. Experiments with on- and off-axis neutral beam injection exhibit a flux pumping mechanism, where the central safety factor is held to ∼1 in the absence of sawteeth. In studies of pedestal physics, it has been found that elevated main chamber neutral pressures result in an increase in the electron density and reduction in the temperature at the pedestal top. Advances in understanding plasma exhaust include the integration of a high-performance plasma core with detached outer divertors in the X-point target configuration. A newly commissioned lower divertor cryopump reduces the lower divertor neutral pressure by up to 50%, with minimal effect on the main chamber or upper divertor. New measurements and SOLPS-ITER simulations emphasise the importance of plasma–neutral interactions on divertor detachment in the conditions accessible in experiments. Real-time control of the ionisation front location in both divertor chambers independently has been demonstrated in double null experiments, enabled by the tightly baffled divertor chambers.

MAST Upgrade↗
DOE OSTI2025

Super-Resolution Ptychography with Small Segmented Detectors

To overcome the spatial resolution limit set by aperture-limited diffraction in traditional scanning transmission electron microscopy, microscopists have developed ptychography enabled by iterative phase retrieval algorithms and high-dynamic-range pixel array detectors. Current detector designs are limited by the data rate off chip, so a high-pixel-count detector has a proportionally lower frame rate than the few-segment detectors used for differential phase contrast (DPC) imaging. This slower acquisition speed leads to heightened vulnerability to scan noise, drift, and potential sample damage. This creates opportunities for repurposing fast segmented detectors for ptychography by trading a reduction in reciprocal space pixels for an increase in real space pixels. Here, we explore a strategy of oversampling in real space and instead apply detector pixel upsampling during the reconstruction process. Further, we demonstrate the viability of achieving super-resolution ptychography on thin objects using only 2 × 2 detector pixels, surpassing the resolution of integrated DPC (iDPC) imaging. With optimization using simulated datasets and experiments on MoTe 2 /WSe 2 bilayer moiré superlattices, we achieved super-resolution ptychography reconstructions under rapid acquisition conditions (37.5 pA, 1 μs dwell time), yielding over 50% improvements in contrast and information limit compared to annular dark field and iDPC imaging on the same detectors.

2D materials↗
DOE OSTI2025

Transverse spin effects and light-quark dipole moments at lepton colliders

We propose to probe light-quark dipole interactions at lepton colliders using the azimuthal asymmetry of a collinear dihadron pair (ℎ 1 ⁡ℎ 2 ) produced in association with another hadron ℎ′. This asymmetry, arising from quantum interference in the quark spin space, is exclusively sensitive to dipole interactions at the leading power of the new physics scale and simultaneously probes both the real and imaginary components of the dipole couplings. By combining all possible channels of ℎ′, this method allows for disentangling the up and down quark dipole moments and has the potential to significantly strengthen current constraints by one to two orders of magnitude.

Wen, Xin-Kai [Peking University, Beijing (China); ↗
DOE OSTI2026

Emergent quasi-one-dimensional antiferromagnetism in the distorted kagome magnet CePtPb

CePtPb hosts a distorted kagome lattice of Ce 3+ ions, providing a clean platform to investigate how reduced local symmetry and strong spin-orbit coupling reshape frustrated magnetism. Magnetization, specific heat, and magnetocaloric effect measurements, combined with a symmetry analysis of the single-ion anisotropy, demonstrate that the local 𝑚⁢2⁢𝑚 site symmetry selects a nearly Ising-like Kramers doublet with easy axes lying within the 𝑎⁢𝑏 plane. This results in three distinct in-plane Ising directions and an overall easy-plane anisotropy. The low-energy magnetic response is well captured by a three-sublattice Ising model, which quantitatively reproduces the saturation magnetization for arbitrary in-plane field orientations, including $[110]$ and $[1\bar{⁢1}⁢0]$, as well as the ratio of the field-induced critical fields. For 𝐵∥$[110]$, the phase diagram exhibits two quantum critical points at 𝐵 c⁢1 = 0.25T and 𝐵 c⁢2 = 0.55T, arising from the sequential polarization of the three Ising sublattices. In conclusion, these results reveal that the system develops quasi-one-dimensional spin chains along the 𝑐 axis, emerging from the nominally three-dimensional crystal structure composed of stacked kagome layers, and illustrate how reduced local symmetry can drive effective dimensional reduction in rare-earth Ising magnets.

Li, Fangli [Southern University of Science and Tec↗
DOE OSTI2025

Coexistence of ordered and disordered vacancies in tungsten diboride with a broken hexagonal symmetry

As an important member of transition-metal borides, tungsten diboride (i.e., WB 2+𝑥 ) contains complex atomic vacancies with the originally assigned hexagonal symmetries, exhibiting many fascinating properties such as superconductivity and superior hardness. However, due to the difficulties in exploring atomic vacancies of transition-metal borides, the actual structure and composition of WB 2+𝑥 have been long-standing unsettled issues, which have impeded in-depth understanding of its structural stability and origins of such extraordinary properties. Here, we report a systematic investigation of the crystal structure of high-pressure synthesized WB 2+𝑥 samples by combination of state-of-the-art diffraction techniques and microstructural observations, leading to the discovery of an unusual coexistence of both the ordered and disordered atomic vacancies in WB 2+𝑥 with a broken hexagonal symmetry that can be well described by a dual-phase model involving hP12-W 0.70 ⁢B 1.73 and P1-W 0.75⁢ B 1.64 . Superposition of thin sample layers with disordered vacancies along the [001] or [110] direction is revealed to produce ordered vacancies, rationalizing the observed size-dependent symmetry breaking. In conclusion, these findings not only provide solid foundations for studying the phase stability and properties of this boride but also give powerful insights into how the intricate atomic vacancies can influence crystal structures of transition-metal borides.

high pressure↗
DOE OSTI2025

Highly Tunable Valley Polarization of Potential-Trapped Moiré Excitons in WSe 2 /WS 2 Heterojunctions

Moiré superlattices created by stacking atomic layers of transition metal dichalcogenide semiconductors have emerged as a class of fascinating artificial photonic and electronic materials. An appealing attribute of these structures is the inheritance of the valley degree of freedom from the constituent monolayers. Recent studies show evidence that the valley polarization of the moiré excitons is highly tunable. In heterojunctions of WSe 2 /WS 2 , marked improvement in valley polarization is observed by increasing optical excitation power, a behavior that is quite distinct from the monolayers, and lacks a clear understanding so far. Here, in this Letter, we show that this highly tunable valley property arises from filling of the moiré superlattice, which provides an intriguing mechanism for engineering these quantum opto-valleytronic platforms. Our data further demonstrate that the long-range electron-hole exchange interaction, despite being significantly weakened in the junctions, is the dominant source of moiré exciton intervalley scattering at low population. Using magnetic field tuning, we quantitatively determine the exchange interaction strength to be 0.03 and 0.24 meV for 0° and 60° twisted samples, respectively, in our experiments, about 1 order of magnitude weaker than that in the monolayers.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2026

Lattice-Charge Coupling in a Trilayer Nickelate with Intertwined Density Wave Order

Intertwined charge and spin correlations are ubiquitous in a wide range of transition metal oxides and are often perceived as intimately related to unconventional superconductivity. Theoretically envisioned as driven by strong electronic correlations, the intertwined order is usually found to be strongly coupled to the lattice as signaled by pronounced phonon softening. Recently, both charge and spin density waves (CDW and SDW) and superconductivity have been discovered in several Ruddlesden-Popper (RP) nickelates, in particular trilayer nickelates 𝑅⁢𝐸 4⁢ Ni 3 ⁢O 10 (𝑅⁢𝐸 = Pr, La). The nature of the intertwined order and the role of lattice-charge coupling are at the heart of the debate about these materials. Using inelastic x-ray scattering, we mapped the low-energy phonon dispersions in 𝑅⁢𝐸 4⁢ Ni 3 ⁢O 10 and found no evidence of softening near the CDW wave vector over a wide temperature range, which contrasts with the pronounced anomalies frequently observed in cuprate superconductors. Calculations of the electronic susceptibility revealed a peak at the observed SDW ordering vector but not at the CDW wave vector. Our experimental and theoretical findings highlight the crucial role of the spin degree of freedom and establish a foundation for understanding the interplay between superconductivity and density-wave transitions in RP nickelate superconductors and beyond.

36 MATERIALS SCIENCE↗
DOE OSTI2025

The Emergence and Promise of Functional Chemogeography of Organic Matter

Organisms in ecosystems continuously release a myriad of organic matter molecules that undergo microbial and abiotic transformation, processes that critically influence carbon storage and climate feedbacks. Yet, a systematic understanding of what determines the transformation and persistence of organic matter across spatiotemporal scales remains elusive. We propose an emerging framework, termed “functional chemogeography,” to understand transformation and persistence of organic matter based on the chemical traits of molecules. This framework extends beyond a sole focus on intrinsic traits, which remain relatively constant across spatiotemporal scales, to emphasize extrinsic traits such as biochemical transformations and environmental responses, which vary spatiotemporally and are shaped by both intrinsic traits and the environment. When upscaled to the assemblage level using functional diversity indices, these extrinsic traits reveal a significant, and in some cases superior, capacity than intrinsic traits to explain biogeochemical processes, as demonstrated through a case study of dissolved organic matter in China's lakes. In conclusion, by integrating trait-based perspectives into predictive models, this framework helps bridge chemical complexity with ecosystem biogeochemistry, thereby advancing our ability to predict the fate of global organic carbon under environmental change.

chemical traits↗
DOE OSTI2025

Combining molecular beam epitaxy and low-energy electron microscopy with in situ magnetic susceptibility measurements within an integrated ultrahigh vacuum system

Quantum two-dimensional materials, including ultrathin superconducting films, are of great current research interest. These films are typically fabricated under ultra-high vacuum (UHV) conditions and are sensitive to the environment—prone to oxidation and contamination when exposed to the atmosphere. This hampers the study of their intrinsic properties by standard ex situ techniques. Here, we present a variable-temperature mutual inductance probe system integrated under UHV with molecular beam epitaxy (MBE) synthesis and low-energy electron microscopy, enabling nondestructive in situ characterization of superconducting thin films. The system employs a reflection-type configuration and reaches a low temperature (∼4 K) using a high-cooling-power, vibration-isolated cryocooler. In conclusion, we demonstrate the system performance by measuring the superconducting critical temperature in a copper-oxide thin film.

2D materials↗
DOE OSTI2026

A strong and ductile Super Kovar alloy via fully coherent nanoprecipitates

Emerging high-precision technologies demand materials with exceptional dimensional stability and mechanical robustness, as even microscopic thermomechanical deformation can cause functional failure. However, a fundamental trilemma exists: High strength, ductility, and low thermal expansion are mutually exclusive, as strengthening-induced lattice distortions compromise the spin-lattice coupling, which is essential for low thermal expansion. Here, we overcome this trilemma by designing “Super Kovar,” an Fe-Ni-Co-Al-Ta alloy, featuring fully coherent nanoprecipitates. It unifies a 1.0-gigapascal ultimate tensile strength and ∼39% elongation with a Kovar-grade thermal expansion of 3.81 × 10−6 K−1 (100 to 410 K). The key is a dense dispersion of L12 nanoprecipitates that form an almost strain-free coherent interface with the ferromagnetic matrix. Beyond providing precipitation strengthening, these coherent interfaces suppress intrinsic phonons of nanoprecipitates via elastic coupling while avoiding magnetic domain pinning to preserve the Invar effect of the matrix. This reduces the thermal expansion of the precipitates by 56% and achieves a fourfold enhancement in the strength-ductility product, establishing a paradigm for dimensionally stable, ultrastrong alloys.

Yu, Chengyi [University of Science and Technology ↗
DOE OSTI2025

Tantalum-stabilized ruthenium oxide electrocatalysts for industrial water electrolysis

The iridium oxide (IrO 2 ) catalyst for the oxygen evolution reaction used industrially (in proton exchange membrane water electrolyzers) is scarce and costly. Although ruthenium oxide (RuO 2 ) is a promising alternative, its poor stability has hindered practical application. Here, we used well-defined extended surface models to identify that RuO 2 undergoes structure-dependent corrosion that causes Ru dissolution. Tantalum (Ta) doping effectively stabilized RuO 2 against such corrosion and enhanced the intrinsic activity of RuO 2 . In an industrial demonstration, Ta-RuO 2 electrocatalyst exhibited stability near that of IrO 2 and had a performance decay rate of ~14 microvolts per hour in a 2800-hour test. At current densities of 1 ampere per square centimeter, it had an overpotential 330 millivolts less than that of IrO 2 .

Zhang, Jiahao [Sichuan Univ., Chengdu (China); Uni↗