Physical Reasons Research Articles

NovPhy: A physical reasoning benchmark for open-world AI systems

Due to the emergence of AI systems that interact with the physical environment, there is an increased interest in incorporating physical reasoning capabilities into those AI systems. But is it enough to only have physical reasoning capabilities to operate in a real physical environment? In the real world, we constantly face novel situations we have not encountered before. As humans, we are competent at successfully adapting to those situations. Similarly, an agent needs to have the ability to function under the impact of novelties in order to properly operate in an open-world physical environment. To facilitate the development of such AI systems, we propose a new benchmark, NovPhy, that requires an agent to reason about physical scenarios in the presence of novelties and take actions accordingly. The benchmark consists of tasks that require agents to detect and adapt to novelties in physical scenarios. To create tasks in the benchmark, we develop eight novelties representing a diverse novelty space and apply them to five commonly encountered scenarios in a physical environment, related to applying forces and motions such as rolling, falling, and sliding of objects. According to our benchmark design, we evaluate two capabilities of an agent: the performance on a novelty when it is applied to different physical scenarios and the performance on a physical scenario when different novelties are applied to it. We conduct a thorough evaluation with human players, learning agents, and heuristic agents. Our evaluation shows that humans' performance is far beyond the agents' performance. Some agents, even with good normal task performance, perform significantly worse when there is a novelty, and the agents that can adapt to novelties typically adapt slower than humans. We promote the development of intelligent agents capable of performing at the human level or above when operating in open-world physical environments. Benchmark website: https://github.com/phy-q/novphy.

Physical Therapists' Prognosis of Outcomes After a Hip or Quadriceps Exercise Intervention in Patients With Patellofemoral Pain: A Secondary Analysis of a Randomized Trial.

OBJECTIVE: Can physical therapists who are treating patients with patellofemoral pain (PFP) predict the outcome of a 12-week exercise intervention based on initial assessment, and what are the physical therapists' reasons for prediction? DESIGN: Secondary analysis of a randomized trial. METHODS: After the initial assessment, physical therapists were asked to predict the prognosis of 200 patients with PFP who were allocated to 12 weeks of quadriceps exercises (QEs) or hip exercises (HEs) on a 1-to-10 Likert scale, and to describe their reasoning for the prediction score. OUTCOMES: measures were changes from baseline to weeks 12 and 26 on the Anterior Knee Pain Scale (range 0-100) and a transition questionnaire (TransQ). Linear mixed-effects models were used to assess the prediction. Secondly, we used a qualitative approach to summarize the physical therapists' reasoning (written notes) when predicting the outcome. RESULTS: There was no association between physical therapists' prognosis and changes in Anterior Knee Pain Scale for QE or HE at weeks 12 and 26 (slopes: -0.14 to -0.51 with wide 95% confidence intervals). There was no association between physical therapists' assessment of prognosis using TransQ for QE or HE at weeks 12 and 26 (odds ratio: 0.99 to 1.17 with wide 95% confidence intervals). CONCLUSION: Physical therapists' prognosis based on initial assessment was not associated with outcomes after 12 weeks of either quadriceps or hip exercise therapy among patients with PFP. Physical therapists' prognoses were not useful as a source of information and to identify PFP patients with poor or good projected outcomes. J Orthop Sports Phys Ther 2024;54(8):541-550. Epub 6 June 2024. doi:10.2519/jospt.2024.12258.

Improving Subseasonal Soil Moisture and Evaporative Stress Index Forecasts through Machine Learning: The Role of Initial Land State versus Dynamical Model Output

Abstract The effect of machine learning and other enhancements on statistical–dynamical forecasts of soil moisture (0–10 and 0–100 cm) and a reference evapotranspiration fraction [evaporative stress index (ESI)] on subseasonal time scales (15–28 days) are explored. The predictors include the current and past land surface conditions and dynamical model hindcasts from the Subseasonal to Seasonal Prediction project (S2S). When the methods are enhanced with machine learning and other improvements, the increases in skill are almost exclusively coming from predictors drawn from observations of current and past land surface states. This suggests that operational S2S flash drought forecasts should focus on optimizing use of information on current conditions rather than on integrating dynamically based forecasts, given the current state of knowledge. Nonlinear machine learning methods lead to improved skill over linear methods for soil moisture but not for ESI. Improvements for both soil moisture and ESI are realized by increasing the sample size by including surrounding grid points in training and increasing the number of predictors. In addition, all the improvements in the soil moisture forecasts predominantly impact soil moistening rather than soil drying—i.e., prediction of conditions moving away from drought rather than into drought—especially when the initial soil state is drier than normal. The physical reasons for the nonlinear machine learning improvements are also explored. Significance Statement Rapidly intensifying droughts pose extra challenges for predictability. Here, dynamical forecast model output is combined with nonlinear machine learning methods to improve forecasts of rapid changes in soil moisture and the evaporative stress index (ESI).

Ultrasoft state of microquasar Cygnus X-3: X-ray polarimetry reveals the geometry of the astronomical puzzle

Cygnus X-3 is an enigmatic X-ray binary that is both an exceptional accreting system and a cornerstone for population synthesis studies. Prominent X-ray and radio properties follow a well-defined pattern, and yet the physical reasons for the state changes observed in this system are not known. Recently, the presence of an optically thick envelope around the central source in the hard state was revealed using the X-ray polarization data obtained with the Imaging X-ray Polarimetry Explorer (IXPE). In this work we analyse IXPE data obtained in the ultrasoft (radio quenched) state of the source. The average polarization degree (PD) of 11.9 ± 0.5% at a polarization angle (PA) of 94° ±1° is inconsistent with the simple geometry of the accretion disc viewed at an intermediate inclination. The high PD, the blackbody-like spectrum, and the weakness of fluorescent iron line imply that the central source is hidden behind the optically thick outflow, similar to the hard-state geometry, and its beamed radiation is scattered, by the matter located along the funnel axis, towards our line of sight. In this picture the observed PD is directly related to the source inclination, which we conservatively determine to lie in the range 26° < i < 28°. Using the new polarimetric properties, we propose a scenario that can be responsible for the cyclic behaviour of the state changes in the binary.

Using a research-based assessment instrument to explore undergraduate students’ proficiencies around measurement uncertainty in physics lab contexts

Concepts and practices surrounding measurement uncertainty are vital knowledge for physicists and are often emphasized in undergraduate physics laboratory courses. We have previously developed a research-based assessment instrument—the Survey of Physics Reasoning on Uncertainty Concepts in Experiments (SPRUCE)—to examine student proficiency with measurement uncertainty along a variety of axes, including sources of uncertainty, handling of uncertainty, and distributions and repeated measurements. We present here initial results from the assessment representing over 1500 students from 20 institutions. We analyze students’ performance pre- and postinstruction in lab courses and examine how instruction impacts students with different majors and gender. We find that students typically excel in certain areas, such as reporting the mean of a distribution as their result, while they struggle in other areas, such as comparing measurements with uncertainty and correctly propagating errors using formulas. Additionally, we find that the importance that an instructor places in certain areas of measurement uncertainty is uncorrelated with student performance in those areas. Published by the American Physical Society 2024

Information Load from Neuromediator Diffusion to Extrasynaptic Space: The Interplay between the Injection Frequency and Clearance.

In our study, we simulate the release of glutamate, a neurotransmitter, from the presynaptic cell by modeling the diffusion of glutamate into both synaptic and extrasynaptic space around the synapse. We have also incorporated a new factor into our model: convection. This factor represents the process by which the body clears glutamate from the synapse. Due to this process, the physiological mechanisms that typically prevent glutamate from spreading beyond the synapse are altered. This results in a different distribution of glutamate concentrations, with higher levels outside the synapse than inside it. The variety of biological effects that occur in response to this extrasynaptic glutamate highlights the importance of preventing neurotransmitters from spreading beyond the synapse. We aim to explain the physical reasons behind these biological effects, which are observed as excitotoxicity. Our results show that preventing the spread of glutamate outside the synapse increases the amount of information exchanged within the synapse and its surroundings for frequencies of glutamate release up to 30-50 Hz, followed by a decrease. Additionally, we find that the rate at which glutamate is cleared from the synapse is effective at relatively low levels (≤0.5 nm/μs in our calculation grid) and remains constant at higher levels.

Hygrothermal ageing effects on mode I fatigue delamination in multidirectional composite laminates

Ageing is known to have significantly detrimental effect on mode I fatigue delamination growth (FDG) in unidirectional (UD) composite laminates. However, composite structures are usually designed with multidirectional (MD) layups, which raises the question that is it enough to only conducted fatigue delamination experiments on specimens with a UD layup. The aim of this study is therefore to explore mode I FDG in MD composite laminates with 45//45 interface after different ageing, i.e. at 70 °C 85 % relative humidity (RH) and immersion in 70 °C water bath. Fatigue delamination experiments were conducted at stress ratios R = 0.1 and 0.5. The fatigue data, interpreted via Paris-type fatigue laws, demonstrated that: (1) the change of ageing severity has no influence on mode I FDG in MD composite laminates; (2) FDG remains the same in composite laminates after different ageing, regardless of layups. In all cases, the same master resistance curves can be obtained to determine the intrinsic mode I fatigue delamination resistance of UD and MD composite laminates after different ageing. The physical reasons for these findings were discussed based on the moisture content analysis, Fourier transform infrared (FTIR) analysis, dynamic mechanical thermal analysis (DMTA), and fractographic examinations. It was found that material degradation and delamination mechanisms remain the same for UD and MD layups, as well as for 85 %RH and water bath conditioning.

Western North Pacific Monsoon Vorticity Distribution as a Potential Driver of Interannual Meridional Migration of the Boreal Summer Synoptic-Scale Wave Train

Abstract On interannual time scales, there is significant meridional migration of the boreal summer (May–October) synoptic-scale wave (SSW) train relative to the summer monsoon trough line over the western North Pacific (WNP) during 1979–2021. The associated plausible physical reasons for the SSW meridional migration are investigated by comparing analyses between two distinct groups: atypical SSW years where SSWs tend to prevail northward of the summer monsoon trough line and typical SSW years where SSWs largely occur along the summer monsoon trough line. During typical SSW years, SSWs originate primarily from equatorial mixed Rossby-gravity (MRG) waves and then develop into off-equatorial tropical depression (TD) waves in the lower troposphere of the monsoon region. During atypical SSW years, SSWs appear to be sourced from upper-level easterlies, propagating downward to the lower troposphere in the monsoon region, with a prevailing TD wave structure. A budget analysis of barotropic eddy kinetic energy suggests that interannual meridional SSW migration is closely related to changes in the vorticity distribution along the summer monsoon trough over the WNP, especially the western part of the summer monsoon trough. These changes cause low-frequency zonal convergence and shear differences, changing barotropic conversion around the monsoon trough and modulating interannual SSW meridional movement. In response to these changes, there are corresponding differences in SSW sources: a predominate MRG–TD wave pattern in typical SSW years and a predominate TD wave pattern in atypical SSW years. These results improve our understanding of the interannual variability of large-scale circulation and tropical cyclones.

Hong–Ou–Mandel Interference in Quantum Optics, Monogamy of Entanglement, Nonorthogonality, and Untrusted Nodes

Quantum key distribution systems with an untrusted intermediate node described by the so-called measurement device independent (MDI) protocol have been actively studied in the last decade. In early works, it was only argued why such a quantum key distribution system ensures the security of distributed keys mentioning that the security proof of the MDI protocol, which was not presented, is similar to that for the basic Bennett‒Brassard 84 (BB84) protocol. For this reason, despite the existing experimental implementations of the MDI quantum key distribution system, physical reasons for the protocol security are still questionable. Such quantum key distribution systems provide a common key between two network nodes connected through the intermediate untrusted node, which does not require protection of the equipment on it, and an eavesdropper sees the entire operation of the equipment, including the results of the operation of photodetectors. In this work, the MDI protocol has been analyzed. It has been shown that the physical reasons for the protocol security are based on fundamental properties such as the interference of photons from different sources, monogamy of entanglement, and nonorthogonality of states. A simple and explicit derivation is given showing the equivalence of the MDI and BB84 protocols and physical reasons for the identity of the corresponding expressions for the length of the final key.

Rotation and Dufour Impact on Unsteady Flow Past a Parabolic Accelerated Vertical Plate with Uniform Temperature and Mass Diffusion

Objective : Fluid dynamics and heat transfer theory examine the Dufour phenomenon and the rotational influence of unstable parabolic flow across an accelerating infinite vertical plate. This scenario involves several parameters, including the "mass Grashof number (Gr), thermal Grashof number (Gc), Prandtl number (Pr), Hartmann number (Ha), Schmidt number (Sc), Dufour number (Dc), and acceleration parameter". Method : We have applied the Laplace transform method to the resulting PDE. This method converts the equations to algebraic form, making it easier to solve for velocity, temperature, and concentration in terms of time and space. Graphs can show the relationship between the acceleration parameter and numerous parameters such as mass and thermal Grashof, Hartmann (Ha), and Dufour (Df), as well as the consequent velocity profile. If the velocity increases when these variables change, we'll look at the physical reasons that generate this behaviour. We will examine the conclusions using experimental data or existing theoretical models, considering the model's assumptions and limits. Finally, highlight the significant facts and insights gained from the analysis. We will discuss potential future research possibilities, such as exploring more complex geometries or accounting for new physical effects. Findings : The increase in Dufour parameter value causes an increase in temperature and level trends, demonstrating the significant influence of these factors on the researched phenomena. Novelty: This research advances our understanding of heat and mass transfer phenomena by isolating the Dufour effect in a novel scenario involving unsteady flow around a rotating vertical plate, filling a gap in the existing body of knowledge that is dominated by MHD-inclusive investigations. Suggestions: This approach is fairly general and may be applied to find analysis of heat and mass transfer on Dufour effect for other effects such as Soret effect, Hall current of heat and mass transfer. Keywords: Uniform Temperature, Thermo diffusion (Dufour), Inverse Laplace, Rotational, Constant Mass

Global solvability of a mixed problem for a singular semilinear hyperbolic 1d system

Using the method of characteristics and the Banach fixed point theorem (for the Bielecki metric), in the paper it is established the existence and uniqueness of a global (continuous) solution of the mixed problem in the rectangle $\Pi=\{(x,t)\colon 0<x<l<\infty,\ 0<t<T<\infty\}$ for the first order hyperbolic system of semi-linear equations of the form $$ \dfrac{\partial u}{\partial t}+\Lambda(x,t) \dfrac{\partial u}{\partial x}=f(x,t,u,v,w), \dfrac{\partial v}{\partial x}=g(x,t,u,v,w), \dfrac{\partial w}{\partial t }=h(x,t,u,v,w), $$ for a singular with orthogonal (degenerate) and non-orthogonal to the coordinate axes characte\-ristics and with nonlinear boundary conditions, where $\Lambda(x,t)=\mathrm{diag}(\lambda_1(x,t),\ldots,\lambda_k(x,t)),$ $u=(u_1,\ldots,u_k),$ $v=(v_1,\ldots,v_m),$ $w=(w_1,\ldots,w_n),$ $f=(f_1,\ldots,f_k),$ $g=(g_1,\ldots,g_m),$ $h=(h_1,\ldots,h_n)$ and besides $\textrm{sign } \lambda_i(0,t)=\mathrm{const}\neq 0$, $\textrm{sign } \lambda_i(l,t)=\mathrm{const}\neq 0 $ $\text{for all} \ t \in [0, T] $ and for all $i \in \{1,\ldots,k\}$. The presence of non-orthogonal and degenerate characteristics of the hyperbolic system for physical reasons indicates that part of the oscillatory disturbances in the medium propagates with a finite speed, and part with an unlimited one. Such a singularity (degeneracy of characteristics) of the hyperbolic system allows mathematical interpretation of many physical processes, or act as auxiliary equations in the analysis of multidimensional problems.

Relationship between reasons for intermittent missing patient-reported outcomes data and missing data mechanisms

PurposeNon-response (NR) to patient-reported outcome (PRO) questionnaires may cause bias if not handled appropriately. Collecting reasons for NR is recommended, but how reasons for NR are related to missing data mechanisms remains unexplored. We aimed to explore this relationship for intermittent NRs.MethodsPatients with multiple myeloma completed validated PRO questionnaires at enrolment and 12 follow-up time-points. NR was defined as non-completion of a follow-up assessment within seven days, which triggered contact with the patient, recording the reason for missingness and an invitation to complete the questionnaire (denoted “salvage response”). Mean differences between salvage and previous on-time scores were estimated for groups defined by reasons for NR using linear regression with clustered standard errors. Statistically significant mean differences larger than minimal important difference thresholds were interpreted as “missing not at random” (MNAR) mechanism (i.e. assumed to be related to declining health), and the remainder interpreted as aligned with “missing completely at random” (MCAR) mechanism (i.e. assumed unrelated to changes in health).ResultsMost (7228/7534 (96%)) follow-up questionnaires were completed; 11% (802/7534) were salvage responses. Mean salvage scores were compared to previous on-time scores by reason: those due to hospital admission, mental or physical reasons were worse in 10/22 PRO domains; those due to technical difficulties/procedural errors were no different in 21/22 PRO domains; and those due to overlooked/forgotten or other/unspecified reasons were no different in any domains.ConclusionIntermittent NRs due to hospital admission, mental or physical reasons were aligned with MNAR mechanism for nearly half of PRO domains, while intermittent NRs due to technical difficulties/procedural errors or other/unspecified reasons generally were aligned with MCAR mechanism.

Working memory and L2 gender agreement processing in structural distance conditions

Previous studies examining the role of executive function in L2 processing show that working memory (WM) facilitates the processing of agreement in local domains in adult second language (L2) learners. Furthermore, other studies explored whether L2 learners can establish the agreement operation across phrases (i.e., structural distance) and whether WM intervenes in the said linguistic computation. However, these studies have often included both syntactic and linear distance in their stimuli, making it impossible to discern whether WM effects emerge from physical or syntactic reasons. The present study assesses how verbal WM updating and L2 proficiency modulate syntactic processing. Beginner and advanced adult English L2 learners of Spanish and Spanish monolinguals completed a verbal WM updating task, and a self-paced reading task containing Spanish sentences with gender agreement and disagreement within and across phrases. Results show that Spanish monolinguals exhibited sensitivity to gender agreement violations in local domains and in structural distance conditions, while beginner L2 learners were not sensitive to violations in either condition. Advanced learners, on the other hand, detected violations in local domains, and their verbal WM updating spans were associated with sensitivity to violations across phrases. Taken together, the findings suggest that (a) morphosyntactically complex structures consume cognitive resources in great number, and (b) L2 processing is qualitatively similar albeit quantitatively different from native processing, thus providing evidence that late bilinguals may process the L2 in a native-like manner.

Reasons and Expectations for Seeking Spiritual Treatment in BrazilianSpiritistCenters: A Qualitative Study.

The objective of this study is to identify the main motivations and expectations for seeking spiritual treatment (ST) in spiritistcenters. This is a qualitative study developed at two spiritistcenters in the state of Mato Grosso, Brazil. ST was considered as the set of activities that use magneticcurrentas the main treatment method. We observed that most of the participants first sought treatments from health professionals and that, after insufficient results, they went in search of ST. Their treatments take place simultaneously and, for the participants, they complement each other. The motivations that led the participants to ST ranged from physical reasons to mental health complaints and even family conflicts. One possibility for investing in this type of treatment is due to the participants' desire for a more comprehensive approach, and not as a mere solution to the problem that directly afflicts them.

Utilizing network analysis to explore student qualitative inferential reasoning chains

Over the course of the introductory calculus-based physics course, students are often expected to build conceptual understanding and develop and refine skills in problem solving and qualitative inferential reasoning. Many of the research-based materials developed over the past 30 years by the physics education research community use sequences of scaffolded questions to step students through a qualitative inferential reasoning chain. It is often tacitly assumed that, in addition to building conceptual understanding, such materials improve qualitative reasoning skills. However, clear documentation of the impact of such materials on qualitative reasoning skills is critical. New methodologies are needed to better study reasoning processes and to disentangle, to the extent possible, processes related to physics content from processes general to all human reasoning. As a result, we have employed network analysis methodologies to examine student responses to reasoning-related tasks in order to gain deeper insight into the nature of student reasoning in physics. In this paper, we show that network analysis metrics are both interpretable and valuable when applied to student reasoning data generated from . We also demonstrate that documentation of improvements in the articulation of specific lines of reasoning can be obtained from a network analysis of responses to reasoning chain construction tasks. Published by the American Physical Society 2024

Efficacy of rituximab in treating steroid-resistant Graves’ orbitopathy in active moderate-to-severe and sight-threatening forms: A retrospective observation from China

Background and objectivesThe efficacy of rituximab (RTX) in treating steroid-resistant Graves’ orbitopathy (GO) has been limitedly studied in Asians. Moreover, RTX has been considered even less for patients with steroid-resistant dysthyroid optic neuropathy (DON) who failed to undergo orbital decompression surgery for physical or financial reasons, or who responded poorly to the procedure. This study aimed to investigate the efficacy of RTX in treating steroid-resistant active moderate-to-severe and sight-threatening GO in a Chinese population. MethodsData from 28 patients with steroid-resistant GO prescribed a single dose of 500 mg RTX were retrospectively retrieved. Treatment responses and contributing factors were analyzed. ResultsThe median follow-up time was 22 (8–34) weeks. 23 (82.1 %) patients had a positive objective outcome recommended by the European Group on Graves’ Orbitopathy (EUGOGO), while 25 (92.6 %) had a decrease in 7-item clinical activity score (CAS) by at least 2. Diplopia, visual dysfunction, and MRI-detected T2 relaxation time of the involved extraocular muscles improved significantly at the last follow-up compared to baseline (81.0 % vs. 47.6 %, 38.9 % vs. 16.7 %, and 87.8 (8.64) vs. 75.8 (10.9) ms, respectively; all p values < 0.05). No significant improvement was seen in terms of proptosis and eye muscle duction. Notably, a higher baseline IgG4 to IgG ratio was a predictor for RTX-induced positive EUGOGO outcomes. After RTX treatment, all 8 patients with DON demonstrated inactivation, and 4 improved in visual acuity by ≥ 1 line. No patient with DON experienced obvious deterioration. ConclusionA single dose of 500 mg RTX seemed to be an effective and tolerable treatment for steroid-resistant GO. However, larger-scale studies with a control group are required for a more solid conclusion. The role of RTX in steroid-resistant DON management where surgery is unavailable or ineffective should be further explored.

Invariant representations in abstract concept grounding - the physical world in grounded cognition.

Grounded cognition states that mental representations of concepts consist of experiential aspects. For example, the concept "cup" consists of the sensorimotor experiences from interactions with cups. Typical modalities in which concepts are grounded are: The sensorimotor system (including interoception), emotion, action, language, and social aspects. Here, we argue that this list should be expanded to include physical invariants (unchanging features of physical motion; e.g., gravity, momentum, friction). Research on physical reasoning consistently demonstrates that physical invariants are represented as fundamentally as other grounding substrates, and therefore should qualify. We assess several theories of concept representation (simulation, conceptual metaphor, conceptual spaces, predictive processing) and their positions on physical invariants. We find that the classic grounded cognition theories, simulation and conceptual metaphor theory, have not considered physical invariants, while conceptual spaces and predictive processing have. We conclude that physical invariants should be included into grounded cognition theories, and that the core mechanisms of simulation and conceptual metaphor theory are well suited to do this. Furthermore, conceptual spaces and predictive processing are very promising and should also be integrated with grounded cognition in the future.

Does hygrothermal degradation of Mode I fatigue delamination resistance in carbon fibre reinforced polymer laminates depend on the ageing conditions?

Hygrothermal ageing has detrimental effect of the fatigue delamination growth (FDG) in carbon fibre reinforced polymer laminates, and may increase the crack growth rate by a factor of ∼5. The paper examines, how this degradation for Mode I fatigue delamination is affected by the severity of the ageing conditions. Fatigue delamination tests for R = 0.1 and R = 0.5 are conducted after ageing (1) at 70 °C 85 % relative humidity (RH) and (2) immersion in 70 °C water bath (WB). Paris-type FDG characterisation is derived, in the form, which accounts for the effect of fibre bridging. It is demonstrated that parameters of FDG degradation do not differ for these two types of hygrothermal ageing. The physical reasons for this are examined using dynamic mechanical thermal analysis (DMTA) and fractographic analysis, which revealed similar irreversible degradation of the material near the fibre/matrix interface and in the matrix itself, and the similar damage mechanisms in fatigue delamination. Furthermore, this study can highlight the importance of obeying similitude principles in FDG characterisation, and provide extra information for the ISO standard development for mode I fatigue delamination in unidirectional carbon fibre reinforced polymer composites.

The effect of surface orientation on band alignment and carrier transfer at WS2/CdS interface: Insight from first-principles calculations

Loading of WS2 can greatly improve water splitting H2 generation efficiency of CdS in experiments. Here, we constructed WS2/CdS(100) and WS2/CdS(110) heterostructures with smaller mismatches and explored their interaction energy and band offset by first-principles calculations. Our calculation suggests that the WS2/CdS(100) interface with a stronger binding energy is more active in experiments, while the WS2/CdS(110) interface is metastable. The band alignment between CdS and WS2 is highly dependent on the orientation of the interfaces, and WS2/CdS(100) and WS2/CdS(110) belong to type-I and type-II band alignments, respectively. Therefore, a metal electrode and hole scavenger may be essential in experiments to help WS2/CdS(100) efficiently trap electrons, and a suitable substrate and an appropriate growth temperature are also needed to composite the CdS(110) surface to achieve a higher photocatalytic efficiency. In addition, we performed a detailed analysis of the macroscopic average potential and found that the calculated accuracy of potential difference across the heterostructures due to slab thickness is less than 80 meV at WS2/CdS interfaces. In total, our calculations not only explain the physical reasons for the increased efficiency of WS2/CdS, but also provide a detailed guideline for the design of a more efficient synergistic catalyst.

Investigation of the Map Width Improvement in a Radially Reduced Diffuser Design Concept for a Centrifugal Compressor

Abstract Often, an improvement in performance at one operating point in a compressor/turbine operating map will lead to a reduction in performance at another area. For example, improving the efficiency of a compressor at design point (DP) may result in a reduction of efficiency at other operating points or it may result in a reduced stable operating range. In order to reduce the compressor cost and weight, a 15% radial reduction was applied to the diffuser passage length of a high pressure ratio centrifugal compressor. The diffuser endwall was diverged to achieve an appropriate area ratio from diffuser inlet to outlet. Two different vane shapes were considered with the radially reduced diffuser passage. The first diffuser vane was a scaled version of the baseline airfoil vane shape and this was used to develop an understanding of the impact of the passage length reduction and diverging endwall. The second vane geometry was parameterized using an unconventional method derived from published literature and optimized to improve performance at DP. Increased losses were generated through the diffuser passages of the radially reduced designs, but this was compensated for by lower losses through the volute due to more desirable flow at volute inlet. As a result, the radially reduced designs not only matched the performance of the baseline configuration, but also succeeded in achieving a marginal efficiency improvement. Furthermore, despite not being one of the goals of the optimization procedure, an extension of the stable operating range of 36% and 20% at the highest speed condition was achieved for the scaled and optimized designs, respectively. The current study focuses on understanding the physical reasons that generated this significant enhancement to the compressor operating range. In order to acquire the desired understanding, experimental data is presented to validate the Computational Fluid Dynamics (CFD) model and a detailed numerical investigation is presented to explain the changes in the flow field within the radially reduced designs. The study focuses on low flow rate operating points, necessitating the use of an Unsteady Reynolds Averaged Navier-Stokes (URANS) approach to analyse the flow. Detailed scrutiny of the flow field revealed a secondary flow feature in the diffuser passage which resulted in higher diffuser passage losses at DP but stabilised the flow as it developed for lower mass flow rate operating points.