BZPEERPapers, people, evidence and research paths
Menu

Discover

SearchFind papers, people, topics, institutions and opportunities from one place.GraphSee how papers, authors, topics and evidence connect.

Research tools

HomeContinue from the papers, people and topics that matter now.CollectionsTurn saved papers into reading lists, evidence maps and shareable context.ResearchReconstruct the path that led you from search to paper to question.CollaborationMove from a paper, topic or expert request into a focused thread.PublishCreate full-text research articles with metadata, formulas and versions.

Network

ExpertsFind specialists whose work and reviews explain why they can help.CommunitiesJoin research groups organized around papers, topics and shared evidence.

Opportunities

ListingsBrowse roles, calls and collaborations connected to real research context.

Account

Log inReturn to your saved papers, graph views and active threads.Create accountStart saving papers, building a research trail and joining teams.
Log inCreate account

Source author record

Xiaoqing Li

Xiaoqing Li appears in the imported research catalog. Authorship, coauthor and topic links are available while profile ownership is still unclaimed.

ResearcherUnclaimed source record
cond-mat.mtrl-scicond-mat.dis-nnmath.NTComputation and LanguageComputer Visioncond-mat.mes-hallmath-phmath.MPmath.SPphysics.chem-ph

Catalog footprint

What is connected

16works
10topics
4close collaborators

Actions

Connect this record

Log in to claim
Open graphBrowse works

Research graph

See the researcher in context

Open full explorer

Inspect adjacent papers, topics, institutions and collaborators without losing the researcher page.

Building this map preview

BZPEER is loading the nearby papers, people, topics and institutions for this page.

Published work

16 published item(s)

preprint2026arXiv

Cloud-top infrared observations reveal the four-dimensional precipitation structure

Accurate four-dimensional (4D) precipitation information is essential for understanding the Earth's energy and water cycles, yet remains observationally unresolved at global scales. Conventional theory holds that geostationary infrared observations primarily sense cloud-top properties, with limited sensitivity to sub-cloud precipitation. Here we show that cloud-top infrared measurements nevertheless encode sufficient information to recover the four-dimensional structure of precipitation, revealing a previously unexploited observability of sub-cloud processes. We introduce a physically constrained deep learning framework, 4DPrecipNet, in which a moisture-first constraint requires the latent representation to recover precipitable water vapour, anchoring the model in thermodynamic consistency. By integrating multi-channel infrared radiances with these constraints and radar-derived precipitation profiles, we reconstruct the vertical and temporal evolution of precipitation systems from geostationary orbit. The framework captures deep convective structures and their evolution, with robust performance across large samples and independent radar comparisons. These results demonstrate that sub-cloud precipitation is physically encoded in cloud-top infrared observations, establishing a new pathway for continuous global monitoring of precipitation structure.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

SABRE Enhancement with Oscillating Pulse Sequences: Symmetry Reduces Robustness

SABRE (Signal Amplification by Reversible Exchange) methods provide a simple, fast, and cost-effective method to hyperpolarize a wide variety of molecules in solution, and have been demonstrated with protons and, more recently, with heteronuclei (X-SABRE). The conventional analysis of the SABRE effect is based on level anti-crossings (LACs), which requires very low magnetic fields (~ 0.6uT) to achieve resonance and transfer spin order from the para-hydrogen to target heteronuclei. We have demonstrated in our recent study that the validity of LACs used in SABRE is very limited, so the maximum SABRE polarization predicted with LACs is not correct. Here, we present several oscillating pulse sequences that use magnetic fields far away from the resonance condition and can commonly triple the polarization. An analysis with average Hamiltonian theory indicates that the oscillating pulse, in effect, adjusts the J-couplings between hydrides and target nuclei and that a much weaker coupling produces maximum polarization. This theoretical treatment, combined with simulations and experiment, show substantial magnetization improvements relative to traditional X-SABRE methods. It also shows that, in contrast to most pulse sequence applications, waveforms with reduced time symmetry in the toggling frame make magnetization generation more robust to experimental imperfections.

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

Ductile and brittle crack-tip response in equimolar refractory high-entropy alloys

Understanding the strengthening and deformation mechanisms in refractory high-entropy alloys (HEAs), proposed as new high-temperature material, is required for improving their typically insufficient room-temperature ductility. Here, density-functional theory simulations and a continuum mechanics analysis were conducted to systematically investigate the competition between cleavage decohesion and dislocation emission from a crack tip in the body-centered cubic refractory HEAs HfNbTiZr, MoNbTaVW, MoNbTaW, MoNbTiV, and NbTiVZr. This crack-tip competition is evaluated for tensile loading and a totality of 15 crack configurations and slip systems. Our results predict that dislocation plasticity at the crack tip is generally unfavorable -- although the competition is close for some crack orientations, suggesting intrinsic brittleness and low crack-tip fracture toughness in these five HEAs at zero temperature. Fluctuations in local alloy composition, investigated for HfNbTiZr, can locally reduce the resistance to dislocation emission for a slip system relative to the configuration average of that slip system, but do not change the dominant crack-tip response. In the case of single-crystal MoNbTaW, where an experimental, room-temperature fracture-toughness value is available for a crack on a \{100\} plane, theoretical and experimental results agree favorably. Factors that may limit the agreement are discussed. We survey the effect of material anisotropy on preferred crack tip orientations, which are found to be alloy specific. Mixed-mode loadings are found to shift the competition in favor of cleavage or dislocation nucleation, depending on crack configuration and amplified by the effect of material anisotropy on crack tip stresses.

0 citations0 reviewsNo code linkedOpen access
preprint2018arXiv

Understanding the mechanical properties of reduced activation steels

Reduced activation ferritic/martensitic (RAFM) steels are structural materials with potential application in Generation-IV fission and fusion reactors. We use density-functional theory to scrutinize the micro-mechanical properties of the main alloy phases of three RAFM steels based on the body-centered cubic FeCrWVMn solid solution. We assess the lattice parameters and elastic properties of ferromagnetic $α$-Fe and Fe$_{91}$Cr$_{9}$, which are the main building blocks of the RAFM steels, and present a detailed analysis of the calculated alloying effects of V, Cr, Mn, and W on the mechanical properties of Fe$_{91}$Cr$_{9}$. The composition dependence of the elastic parameters is decomposed into electronic and volumetric contributions and studied for alloying levels that cover the typical intervals in RAFM steels. A linear superposition of the individual solute effects on the properties of Fe$_{91}$Cr$_{9}$ is shown to provide an excellent approximation for the \emph{ab initio} values obtained for the RAFM steels. The intrinsic ductility is evaluated through Rice's phenomenological theory using the surface and unstable stacking fault energies, and the predictions are contrasted with those obtained by empirical criteria. Alloying with V or W is found to enhance the ductility, whereas additional Cr or Mn turns the RAFM base alloys more brittle.

0 citations0 reviewsNo code linkedOpen access
preprint2017arXiv

First-principles prediction of the stacking fault energy of gold at finite temperature

The intrinsic stacking fault energy (ISFE) $γ$ is a material parameter fundamental to the discussion of plastic deformation mechanisms in metals. Here, we scrutinize the temperature dependence of the ISFE of Au through accurate first-principles derived Helmholtz free energies employing both the super cell approach and the axial Ising model (AIM). A significant decrease of the ISFE with temperature, $-(36$-$39)$\,\% from 0 to 890\,K depending on the treatment of thermal expansion, is revealed, which matches the estimate based on the experimental temperature coefficient $d γ/ d T $ closely. We make evident that this decrease predominantly originates from the excess vibrational entropy at the stacking fault layer, although the contribution arising from the static lattice expansion compensates it by approximately 60\,\%. Electronic excitations are found to be of minor importance for the ISFE change with temperature. We show that the Debye model in combination with the AIM captures the correct sign but significantly underestimates the magnitude of the vibrational contribution to $γ(T)$. The hexagonal close-packed (hcp) and double hcp structures are established as metastable phases of Au. Our results demonstrate that quantitative agreement with experiments can be obtained if all relevant temperature-induced excitations are considered in first-principles modeling and that the temperature dependence of the ISFE is substantial enough to be taken into account in crystal plasticity modeling.

0 citations0 reviewsNo code linkedOpen access
preprint2016arXiv

Alloying effect on the ideal tensile strength of ferromagnetic and paramagnetic bcc iron

Using \emph{ab initio} alloy theory formulated within the exact muffin-tin orbitals theory in combination with the coherent potential approximation, we investigate the ideal tensile strength (ITS) in the $[001]$ direction of bcc ferro-/ferrimagnetic (FFM) and paramagnetic (PM) Fe$_{1-x}M_{x}$ ($M=$ Al, V, Cr, Mn, Co, or Ni) random alloys. The ITS of ferromagnetic (FM) Fe is calculated to be $12.6$\,GPa, in agreement with available data, while the PM phase turns out to posses a significantly lower value of $0.7\,$GPa. Alloyed to the FM matrix, we predict that V, Cr, and Co increase the ITS of Fe, while Al and Ni decrease it. Manganese yields a weak non-monotonic alloying behavior. In comparison to FM Fe, the alloying effect of Al and Co to PM Fe is reversed and the relative magnitude of the ITS can be altered more strongly for any of the solutes. All considered binaries are intrinsically brittle and fail by cleavage of the $(001)$ planes under uniaxial tensile loading in both magnetic phases. We show that the previously established ITS model based on structural energy differences proves successful in the PM Fe-alloys but is of limited use in the case of the FFM Fe-based alloys. The different performance is attributed to the specific interplay between magnetism and volume change in response to uniaxial tension. We establish a strong correlation between the compositional effect on the ITS and the one on the shear elastic constant $C'$ for the PM alloys and briefly discuss the relation between hardenability and the ITS.

0 citations0 reviewsNo code linkedOpen access
preprint2016arXiv

Neural Name Translation Improves Neural Machine Translation

In order to control computational complexity, neural machine translation (NMT) systems convert all rare words outside the vocabulary into a single unk symbol. Previous solution (Luong et al., 2015) resorts to use multiple numbered unks to learn the correspondence between source and target rare words. However, testing words unseen in the training corpus cannot be handled by this method. And it also suffers from the noisy word alignment. In this paper, we focus on a major type of rare words -- named entity (NE), and propose to translate them with character level sequence to sequence model. The NE translation model is further used to derive high quality NE alignment in the bilingual training corpus. With the integration of NE translation and alignment modules, our NMT system is able to surpass the baseline system by 2.9 BLEU points on the Chinese to English task.

0 citations0 reviewsNo code linkedOpen access
preprint2016arXiv

One Sentence One Model for Neural Machine Translation

Neural machine translation (NMT) becomes a new state-of-the-art and achieves promising translation results using a simple encoder-decoder neural network. This neural network is trained once on the parallel corpus and the fixed network is used to translate all the test sentences. We argue that the general fixed network cannot best fit the specific test sentences. In this paper, we propose the dynamic NMT which learns a general network as usual, and then fine-tunes the network for each test sentence. The fine-tune work is done on a small set of the bilingual training data that is obtained through similarity search according to the test sentence. Extensive experiments demonstrate that this method can significantly improve the translation performance, especially when highly similar sentences are available.

0 citations0 reviewsNo code linkedOpen access
preprint2016arXiv

Tensile strain-induced softening of iron at high temperature

In weakly ferromagnetic materials, already small changes in the atomic configuration triggered by temperature or chemistry can alter the magnetic interactions responsible for the non-random atomic-spin orientation. Different magnetic states, in turn, can give rise to substantially different macroscopic properties. A classical example is iron, which exhibits a great variety of properties as one gradually removes the magnetic long-range order by raising the temperature towards and beyond its Curie point of $T_{\text{C}}^{0}=1043$\,K. Using first-principles theory, here we demonstrate that uniaxial tensile strain can also destabilize the magnetic order in iron and eventually lead to a ferromagnetic to paramagnetic transition at temperatures far below $T_{\text{C}}^{0}$. In consequence, the intrinsic strength of the ideal single-crystal body-centered cubic iron dramatically weakens above a critical temperature of $\sim 500$\,K. The discovered strain-induced magneto-mechanical softening provides a plausible atomic-level mechanism behind the observed drop of the measured strength of Fe whiskers around $300-500$\,K. Alloying additions which have the capability to partially restore the magnetic order in the strained Fe lattice, push the critical temperature for the strength-softening scenario towards the magnetic transition temperature of the undeformed lattice. This can result in a surprisingly large alloying-driven strengthening effect at high temperature as illustrated here in the case of Fe-Co alloy.

0 citations0 reviewsNo code linkedOpen access
preprint2015arXiv

Metastable cubic and tetragonal phases of transition metals predicted by density-functional theory

By means of density-functional calculations, we systematically investigated 24 transition metals for possible metastable phases in body-centered tetragonal structure (bct), including face-centered cubic (fcc) and body-centered cubic (bcc) geometries. A total of 36 structures not coinciding with equilibrium phases were found to minimize the total energy for the bct degrees of freedom. Among these, the fcc structures of Sc, Ti, Co, Y, Zr, Tc, Ru, Hf, Re, and Os, and bct Zr with $c/a=0.82$ were found to be metastable according to their computed phonon spectra. Eight of these predicted phases are not known from the respective pressure-temperature phase diagrams. Possible ways to stabilize the predicted metastable phases are illustrated.

0 citations0 reviewsNo code linkedOpen access
preprint2014arXiv

Anomalous ideal tensile strength of ferromagnetic Fe and Fe-rich alloys

Within the same failure mode, iron has the lowest ideal tensile strength among the transition metals crystallizing in the body-centered cubic structure. Here, we demonstrate that this anomalously low strength of Fe originates partly from magnetism and is reflected in unexpected alloying effects in dilute Fe(\emph{M}) (\emph{M} = Al, V, Cr, Mn, Co, Ni) binaries. We employ the structural energy difference and the magnetic pressure to disentangle the magnetic effect on the ideal tensile strength from the chemical effect. We find that the investigated solutes strongly alter the magnetic response of the Fe host from the weak towards a stronger ferromagnetic behavior, which is explained based on single-particle band energies.

0 citations0 reviewsNo code linkedOpen access
preprint2013arXiv

Ideal strength of random alloys from first-principles theory

The all-electron exact muffin-tin orbitals method in combination with the coherent-potential appproximation has been employed to investigate the ideal tensile strengths of elemental V, Mo solids and V- and Mo-based random solid solutions. The present ideal tensile strengths, calculated assuming isotropic Poisson contraction, are 16.1, 26.7 and 37.6 GPa for bcc V in the [001], [111] and [110] directions, respectively, and 26.7 GPa for bcc Mo in the [001] direction, which are all in good agreement with the available theoretical data. When a few percent Tc is introduced in Mo, it is found that the ideal strength decreases in the [001] direction. For the V-based alloys, Cr increases and Ti decreases the ideal tensile strength in all principal directions. Adding the same concentration of Cr and Ti to V leads to ternary alloys with similar ideal strength values as that of pure V. The alloying effects on the ideal strength is explained using the electronic band structure.

0 citations0 reviewsNo code linkedOpen access
preprint2010arXiv

From chemical Langevin equations to Fokker-Planck equation: application of Hodge decomposition and Klein-Kramers equation

The stochastic systems without detailed balance are common in various chemical reaction systems, such as metabolic network systems. In studies of these systems, the concept of potential landscape is useful. However, what are the sufficient and necessary conditions of the existence of the potential function is still an open problem. Use Hodge decomposition theorem in differential form theory, we focus on the general chemical Langevin equations, which reflect complex chemical reaction systems. We analysis the conditions for the existence of potential landscape of the systems. By mapping the stochastic differential equations to a Hamiltonian mechanical system, we obtain the Fokker-Planck equation of the chemical reaction systems. The obtained Fokker-Planck equation can be used in further studies of other steady properties of complex chemical reaction systems, such as their steady state entropies.

0 citations0 reviewsNo code linkedOpen access