cssi/SciSciGPT-SciSciNet huggingface dataset:
Latency tolerance through parallelization of time in scientific applications

Emerging computing environments, such as the Grid, promise enormous raw computational power. However, effective use of such platforms is often difficult, because conventional spatial decomposition leads to fine granularity, resulting in high communication overhead. We introduce the concept of guided simulations to parallelize along the time domain. Here, we use the fact that typically results of other simulations of closely related problems are available. In this approach, we automatically and dynamically determine a relationship between old simulations and the one being performed, and use this to parallelize along the time domain. We demonstrate the validity of this approach by applying the technique to an important application involving molecular dynamics simulation of nanomaterials. In this application, spatial decomposition is not effective due to the small size of the physical system. However, time parallelization is effective, since the granularity is much coarser. We also mention how this approach can be extended to make it inherently fault tolerant.
SNIF-ACT: a cognitive model of user navigation on the world wide web

We describe the development of a computational cognitive model that explains navigation behavior on the World Wide Web. The model, called SNIF-ACT (Scent-based Navigation and Information Foraging in the ACT cognitive architecture), is motivated by Information Foraging Theory (IFT), which quantifies the perceived relevance of a Web link to a user's goal by a spreading activation mechanism. The model assumes that users evaluate links on a Web page sequentially and decide to click on a link or to go back to the previous page by a Bayesian satisficing model (BSM) that adaptively evaluates and selects actions based on a combination of previous and current assessments of the relevance of link texts to information goals. SNIF-ACT 1.0 utilizes the measure of utility, called information scent, derived from IFT to predict rankings of links on different Web pages. The model was tested against a detailed set of protocol data collected from 8 participants as they engaged in two information-seeking tasks using the World Wide Web. The model provided a good match to participants' link selections. In SNIF-ACT 2.0, we included the adaptive link selection mechanism from the BSM that sequentially evaluates links on a Web page. The mechanism allowed the model to dynamically build up the aspiration levels of actions in a satisficing process (e.g., to follow a link or leave a Web site) as it sequential assessed link texts on a Web page. The dynamic mechanism provides an integrated account of how and when users decide to click on a link or leave a page based on the sequential, ongoing experiences with the link context on current and previous Web pages. SNIF-ACT 2.0 was validated on a data set obtained from 74 subjects. Monte Carlo simulations of the model showed that SNIF-ACT 2.0 provided better fits to human data than SNIF-ACT 1.0 and a Position model that used position of links on a Web page to decide which link to select. We conclude that the combination of the IFT and the BSM provides a good description of user-Web interaction. Practical implications of the model are discussed.
Harmonic analysis of additive Levy processes

Let X 1, . . . ,X N denote N independent d-dimensional Levy processes, and consider the N-parameter random field $$\mathfrak{X}(t) := X_1(t_1)+\cdots+ X_N(t_N).$$ First we demonstrate that for all nonrandom Borel sets $${F\subseteq{{\bf R}^d}}$$ , the Minkowski sum $${\mathfrak{X}({{\bf R}^{N}_{+}})\oplus F}$$ , of the range $${\mathfrak{X}({{\bf R}^{N}_{+}})}$$ of $${\mathfrak{X}}$$ with F, can have positive d-dimensional Lebesgue measure if and only if a certain capacity of F is positive. This improves our earlier joint effort with Yuquan Zhong by removing a certain condition of symmetry in Khoshnevisan et al. (Ann Probab 31(2):1097–1141, 2003). Moreover, we show that under mild regularity conditions, our necessary and sufficient condition can be recast in terms of one-potential densities. This rests on developing results in classical (non-probabilistic) harmonic analysis that might be of independent interest. As was shown in Khoshnevisan et al. (Ann Probab 31(2):1097–1141, 2003), the potential theory of the type studied here has a large number of consequences in the theory of Levy processes. Presently, we highlight a few new consequences.
Degeneracy and decomposability in abelian crossed products

In this paper we continue the study of the relationship between degeneracy and decomposability in abelian crossed products (K. McKinnie (2008) [McK08]). In particular we construct an indecomposable abelian crossed product division algebra of exponent p and index p2 for p an odd prime. The algebra we construct is generic in the sense of S.A. Amitsur and D. Saltman (1978) [AS78] and has the property that its underlying abelian crossed product is a decomposable division algebra defined by a non-degenerate matrix. This algebra gives an example of an indecomposable generic abelian crossed product which is shown to be indecomposable without using torsion in the Chow group of the corresponding Severi–Brauer variety as was needed in N.A. Karpenko (1998) [Kar98] and K. McKinnie (2008) [McK08]. It also gives an example of a Brauer class which is in Tignol's Dec group with respect to one abelian maximal subfield, but not in the Dec group with respect to another.
Report on the Lake Arrowhead workshop on advanced acceleration concepts

The author reviews the present status of the field of new acceleration concepts, as presented at the Lake Arrowhead workshop, held at the beginning of 1989. It is pointed out that the field of advanced accelerator concepts has seen a remarkable progress during the last few years. Plasma and wakefield acceleration has been demonstrated. One can foresee similar progress in the area of laser acceleration when the Brookhaven ATE starts operation. Ideas for using plasmas to focus particle beams and to produce beam neutralization at the interaction point of a collider have also been developed. It is further noted that the development of high-brightness beams and high-gradient linacs can also have, in the near future, a strong impact on other fields, such as FELs (free-electron lasers) and synchrotron radiation sources. >
Uncountable sets and an infinite real number game

Alice and Bob decide to play the following infinite game on the real number line. A subset S of the unit interval [0, 1] is fixed, and then Alice and Bob alternate playing real numbers. Alice moves first, choosing any real number a1 strictly between 0 and 1. Bob then chooses any real number b1 strictly between a1 and 1. On each subsequent turn, the players must choose a point strictly between the previous two choices. Equivalently, if we let a0 = 0 and b0 = 1, then in round n ≥ 1, Alice chooses a real number an with an−1 < an < bn−1, and then Bob chooses a real number bn with an < bn < bn−1. Since a monotonically increasing sequence of real numbers that is bounded above has a limit (see [8, Theorem 3.14]), α = limn→∞ an is a well-defined real number between 0 and 1. Alice wins the game if α ∈ S, and Bob wins if α ∈ S.
Generating Trees and Pattern Avoidance in Alternating Permutations

We extend earlier work of the same author to enumerate alternating permutations avoiding the permutation pattern $2143$. We use a generating tree approach to construct a recursive bijection between the set $A_{2n}(2143)$ of alternating permutations of length $2n$ avoiding $2143$ and the set of standard Young tableaux of shape $\langle n, n, n\rangle$, and between the set $A_{2n + 1}(2143)$ of alternating permutations of length $2n + 1$ avoiding $2143$ and the set of shifted standard Young tableaux of shape $\langle n + 2, n + 1, n\rangle$. We also give a number of conjectures and open questions on pattern avoidance in alternating permutations and generalizations thereof.
An adaptive modulation scheme for simultaneous voice and data transmission over fading channels

We propose a new adaptive modulation technique for simultaneous voice and data transmission over fading channels and study its performance. The proposed scheme takes advantage of the time-varying nature of fading to dynamically allocate the transmitted power between the inphase (I) and quadrature (Q) channels. It uses fixed-rate binary phase shift keying (BPSK) modulation on the Q channel for voice, and variable-rate M-ary amplitude modulation (M-AM) on the I channel for data. For favorable channel conditions, most of the power is allocated to high rate data transmission on the I channel. The remaining power is used to support the variable-power voice transmission on the Q channel. As the channel degrades, the modulation gradually reduces its data throughput and reallocates most of its available power to ensure a continuous and satisfactory voice transmission. The scheme is intended to provide a high average spectral efficiency for data communications while meeting the stringent delay requirements imposed by voice. We present closed-form expressions as well as numerical and simulation results for the outage probability, average allocated power, achievable spectral efficiency, and average bit error rate (BER) for both voice and data transmission over Nakagami-m fading channels. We also discuss the features and advantages of the proposed scheme. For example, in Rayleigh fading with an average signal-to-noise ratio (SNR) of 20 dB, our scheme is able to transmit about 2 bits/s/Hz of data at an average BER of 10/sup -5/ while sending about 1 bit/s/Hz of voice at an average BER of 10/sup -2/.
Hidden Markov model analysis of force/torque information in telemanipulation

A new model is developed for prediction and analysis of sensor information recorded during robotic performance of tasks by telemanipulation. The model uses the Hidden Markov Model (stochastic functions of Markov nets; HMM) to describe the task structure, the operator or intelligent controller's goal structure, and the sensor signals such as forces and torques arising from interaction with the environment. The Markov process portion encodes the task sequence/subgoal structure, and the observation densities associated with each subgoal state encode the expected sensor signals associated with carrying out that subgoal. Methodology is described for construction of the model parameters based on engineering knowledge of the task. The Viterbi algorithm is used for model based analysis of force signals measured during experimental teleoperation and achieves excellent segmentation of the data into subgoal phases. The Baum-Welch algorithm is used to identify the most likely HMM from a given experiment. The HMM achieves a structured, knowledge-base model with explicit uncertainties and mature, optimal identification algorithms.
Scope and Mechanism of Palladium-Catalyzed Amination of Five-Membered Heterocyclic Halides

Detailed studies have been conducted to determine the activity of palladium catalysts for the amination of five-membered heterocyclic halides and to determine the factors that control the scope of this reaction. Palladium-catalyzed aminations of the electron-rich furanyl, thiophenyl, and indolyl halides and of the related 2-halogenated thiazoles, benzimidazole, and benzoxazole have been shown to occur with a subset of amines. Various combinations of palladium precursors and P(t)Bu(3) were tested as catalysts for reaction of 3-bromothiophene with N-methylaniline, and the fastest reactions occurred with the Pd(I) dimer, [PdBr(P(t)Bu(3))](2). The fastest aminations of thiazoles, benzimidazoles, and benzoxazoles occurred with the combination of palladium trifluoroacetate and P(t)Bu(3) as catalyst.
Energy Distribution of a Charged Black Hole with a Minimally Coupled Scalar Field

Using three different energy-momentum complexes, the Einstein, Landau-Lifshitz, and Papapetrou prescriptions, we calculate the energy of an electrically charged black hole exact solution with a self-interacting, minimally-coupled scalar field and the asymptotic region locally an anti-deSitter spacetime. Writing the metric in Kerr-Schild Cartesian coordinates, we demonstrate that this metric belongs to the Kerr-Schild class of solutions. Applying each of the three energy-momentum prescriptions and comparing the results, we find consistency among these complexes, suggesting their utility as localized measures of energy.
Adaptive entropy coded subband coding of images

The authors describe a design approach, called 2-D entropy-constrained subband coding (ECSBC), based upon recently developed 2-D entropy-constrained vector quantization (ECVQ) schemes. The output indexes of the embedded quantizers are further compressed by use of noiseless entropy coding schemes, such as Huffman or arithmetic codes, resulting in variable-rate outputs. Depending upon the specific configurations of the ECVQ and the ECPVQ over the subbands, many different types of SBC schemes can be derived within the generic 2-D ECSBC framework. Among these, the authors concentrate on three representative types of 2-D ECSBC schemes and provide relative performance evaluations. They also describe an adaptive buffer instrumented version of 2-D ECSBC, called 2-D ECSBC/AEC, for use with fixed-rate channels which completely eliminates buffer overflow/underflow problems. This adaptive scheme achieves performance quite close to the corresponding ideal 2-D ECSBC system. >
Merging Photoredox and Nickel Catalysis: The Direct Synthesis of Ketones by the Decarboxylative Arylation of α-Oxo Acids

The direct decarboxylative arylation of α-oxo acids has been achieved by synergistic visible-light-mediated photoredox and nickel catalysis. This method offers rapid entry to aryl and alkyl ketone architectures from simple α-oxo acid precursors via an acyl radical intermediate. Significant substrate scope is observed with respect to both the oxo acid and arene coupling partners. This mild decarboxylative arylation can also be utilized to efficiently access medicinal agents, as demonstrated by the rapid synthesis of fenofibrate.
Heinrich Hertz-theorist and experimenter

It is argued that when Heinrich Hertz was appointed professor of physics at Karlsruhe in 1885 he was uniquely prepared for his historic experiments that opened the radio spectrum. Hertz made the first antennas and transmitter-receiver radio system and conducted a series of experiments which establish that radio waves are identical to light except for their much greater length. His description of the radiation phenomenon remains the best ever written, revealing his tremendous depth of understanding of the subject. Hertz's training studies, and experiments are recounted and measurements with a replica of his apparatus are described. >
Communication Complexity Under Product and Nonproduct Distributions

We solve an open problem in communication complexity posed by Kushilevitz and Nisan (1997). Let R∈(f) and $$D^\mu_\in (f)$$denote the randomized and μ-distributional communication complexities of f, respectively (∈ a small constant). Yao’s well-known minimax principle states that $$R_{\in}(f) = max_\mu \{D^\mu_\in(f)\}$$. Kushilevitz and Nisan (1997) ask whether this equality is approximately preserved if the maximum is taken over product distributions only, rather than all distributions μ. We give a strong negative answer to this question. Specifically, we prove the existence of a function $$f : \{0, 1\}^n \times \{0, 1\}^n \rightarrow \{0, 1\}$$for which maxμ product $$\{D^\mu_\in (f)\} = \Theta(1) \,{\textrm but}\, R_{\in} (f) = \Theta(n)$$. We also obtain an exponential separation between the statistical query dimension and signrank, solving a problem previously posed by the author (2007).
Robust stabilization of interval plants using lead or lag compensators

Abstract A lead or lag compensator robustly stabilizes a family of interval plants if and only if it simultaneously stabilizes the ‘vertex’ plants.
Three criteria for designing computing systems to facilitate debugging

The designer of a computing system should adopt explicit criteria for accepting or rejecting proposed system features. Three possible criteria of this kind are input recordability, input specifiability, and asychronous reproducibility of output. These criteria imply that a user can, if he desires, either know or control all of the influences affecting the content and extent of his computer's output. To define the scope of the criteria, the notion of an abstract machine of a programming language and the notion of a virtual computer are explained. Examples of applications of the criteria concern the reading of a time-of-day clock, the assignment of capability indices, and memory reading protection in multiprogrammed systems.
On the Weak Order of Orthogonal Groups

A complete lattice structure is defined on the underlying set of the orthogonal group of a real Euclidean space, by a construction analogous to that of the weak order of Coxeter systems in terms of root systems. This produces a complete rootoid in the sense of Dyer, with the orthogonal group as underlying group. It is shown that this complete lattice has a saturation property which is used along with other properties of the lattice to characterize the maximal totally ordered subsets of the lattice as collections of initial sections with respect to a total ordering on the positive roots.
A dual method for discrete Chebychev curve fitting

This paper presents a special purpose dual algorithm for obtaining a Chebychev approximation to an overdetermined system of linear equations. The method is founded on the principles of linear programming and is designed to take advantage of the problem's special structure. It is shown that, while maintaining a reduced basis, certain iterations of the standard dual algorithm may be combined into one. Two computer code implementations of the method are discussed and a computational comparison with another algorithm for Chebychev approximation is given.
Expediting Return to Work Full Duty with Successful Onsite Medical Management

Abstract Emory Healthcare with Emory University in Atlanta, Georgia is the largest employer in DeKalb County. Contract onsite physical therapy and ergonomic services were added in 2001. Emory employees with work related injures were discharged after five onsite physical therapy visits on average versus the national average of fourteen outpatient visits. The estimated cost savings was $887,574 in 2006. In 2008, Emory's Occupational Injury Management Department separated from the Employee Health Department to handle injured employees. Two orthopedic physical therapists specializing in ergonomics were hired full time. The injured employee fills out an online incident report and is seen by the medical staff within 1 to 48 hours. The employee is evaluated in physical therapy, treated and instructed in proper body mechanics. An ergonomic evaluation is performed if an employee has symptoms due to the work postures or the physical demands of the job. Physical therapy statistics of discharged patients were recorded for three years to evaluate the work status on discharge, the departments where injuries occurred, and types of injuries. The information was utilized to target the common injuries and develop a plan to reduce and prevent further injuries. Over 300 Emory employees were discharged annually from onsite physical therapy. The statistics consistently revealed 90% to 93% of the employees returned to work full duty. Only 35% of the employees required referral to an outside physician. The primary departments where injuries occurred were in Nursing, Facilities Management, and the Food and Nutrition Departments. Injury prevention programs were designed based on the ergonomic evaluations. The Safe Patient Handling Program was initiated in 2006. Overhead and mobile lifts were utilized. With continual nursing education and administrative support, there has been a 12.5% cumulative reduction in lifting injuries in 2014. In 2005, WC cases cost $3500 but currently are $1400. Emory's comprehensive approach expedites successful return to full duty work and reduces the cost of work related injuries.
Enhancing Retrieval and Ranking Performance for Media Search Engine by Deep Learning

Deep learning has emerged as a powerful technique to uncover deep structured, nonlinear features for various information processing tasks, such as image processing, speech recognition, and information retrieval. In this paper, we introduce a framework of utilizing a Deep Structured Semantic Model (DSSM) to build similarity features to enhance search engine relevance. To illustrate the effectiveness of the proposed deep learned similarity features, we applied our method to an Xbox Media Search Engine. Specifically, we leverage a large-scale Bing web search log to train a generic DSSM. We then tune the DSSM parameters -- making the model specific to media search -- by using a training dataset from the Xbox Media Search Engine. Finally, we conduct a series of experiments in building Xbox search engine with and without the proposed DSSM similarity features. Our experiment results show that adding DSSM-based similarity features significantly improves the retrieval and ranking performance.
Who is successful on the finance Ph.D. job market

We examine the attributes that contribute to a successful placement of first time finance Ph.D. job market participants. The results of a survey of 237 former job market candidates suggest that while the ranking of the Ph.D.-granting institution plays a significant role in candidates' success at all stages of the job market (candidates from higher ranked schools receive more conference interviews, fly-outs, job offers, and secure higher salaries), other factors also contribute. Prior publications or invitations to resubmit a paper to a journal, experience of presenting at academic conferences, and prior work experience positively affect marketability. Younger candidates, Caucasians, and graduates of higher ranked schools secure placements with higher research requirements and higher salaries. The quality of the hiring institution plays a central role in the candidate's overall satisfaction with the job market outcome. Additionally, we collect and summarize recommendations of survey respondents to future first-time job market participants.
MINOS neutrino oscillation results

Neutrinos interact only weakly with other matter and had been thought to be massless. However, if their mass is non-zero, they could change flavors as they propagate. Recent results from observations of atmospheric, solar, and reactor neutrinos indicate that they do change flavor and these observations have provided measurements of two of the three possible mixings. The MINOS experiment is now making precise measurements of the ν μ ↔ ν τ oscillations seen in atmospheric neutrinos, and extends our reach towards the so far unseen angle θ 1 3 by looking for ν e appearance from the ν μ beam. It does so by using the intense, well-understood NuMI neutrino beam created at Fermilab and observing it 735 km away at the Soudan Mine in Northeast Minnesota. This combination also allows investigation of the oscillation properties of anti-neutrinos, as the NuMI beam can focus opposite-charged pions to produce the anti-neutrinos, and the MINOS detectors are magnetized, allowing event-by-event discrimination of the resulting muon charge-sign.
Chiral random matrix theory for staggered fermions

We present a completed random matrix theory for staggered fermions which incorporates all taste symmetry breaking terms at their leading order from the staggered chiral Lagrangian. This is an extension of previous work which only included some of the taste breaking terms. We will also discuss the effects of taste symmetry breaking on the eigenvalues in the weak and strong taste breaking limits, and compare with some results from lattice simulations.
Diastereodivergent Catalysis Using Modularly Designed Organocatalysts: Synthesis of both cis‐ and trans‐Fused Pyrano[2,3‐b]pyrans

Both enantiomers of cis- and trans-fused 3,4,4a,8a-tetrahydro-2H,5H-pyrano[2,3-b]pyran-7-carboxylates have been obtained in high diastereoselectivities and enantioselectivities from the same starting materials using a tandem inverse-electron-demand hetero-Diels-Alder/oxa-Michael reaction catalyzed by modularly designed organocatalysts (MDOs). Diastereodivergence was achieved in these reactions through the direct control of the stereochemistry of the bridgehead atoms of the fused ring using new MDOs self-assembled from both enantiomers of proline and cinchona alkaloid thiourea derivatives.
Learning Through Noticing: Theory and Experimental Evidence in Farming*

Existing learning models attribute failures to learn to a lack of data. We model a different barrier. Given the large number of dimensions one could focus on when using a technology, people may fail to learn because they failed to notice important features of the data they possess. We conduct a field experiment with seaweed farmers to test a model of "learning through noticing". We find evidence of a failure to notice: On some dimensions, farmers do not even know the value of their own input. Interestingly, trials show that these dimensions are the ones that farmers fail to optimize. Furthermore, consistent with the model, we find that simply having access to the experimental data does not induce learning. Instead, farmers change behavior only when presented with summaries that highlight the overlooked dimensions. We also draw out the implications of learning through noticing for technology adoption, agricultural extension, and the meaning of human capital.
High-order stochastic gradient thermostats for Bayesian learning of deep models

Learning in deep models using Bayesian methods has generated significant attention recently. This is largely because of the feasibility of modern Bayesian methods to yield scalable learning and inference, while maintaining a measure of uncertainty in the model parameters. Stochastic gradient MCMC algorithms (SG-MCMC) are a family of diffusion-based sampling methods for large-scale Bayesian learning. In SG-MCMC, multi-variate stochastic gradient thermostats (mSGNHT) augment each parameter of interest, with a momentum and a thermostat variable to maintain stationary distributions as target posterior distributions. As the number of variables in a continuous-time diffusion increases, its numerical approximation error becomes a practical bottleneck, so better use of a numerical integrator is desirable. To this end, we propose use of an efficient symmetric splitting integrator in mSGNHT, instead of the traditional Euler integrator. We demonstrate that the proposed scheme is more accurate, robust, and converges faster. These properties are demonstrated to be desirable in Bayesian deep learning. Extensive experiments on two canonical models and their deep extensions demonstrate that the proposed scheme improves general Bayesian posterior sampling, particularly for deep models.
Surface and bulk hot electron dynamics in silicon

Time domain study of hot electron dynamics on the Si(100)2 × 1 surface has been an active area of research.1,2
Small homes, public schools, and property tax capitalization

Abstract Efforts to estimate the degree to which local property taxes are capitalized into house values are complicated by any spurious correlation between property taxes and unobserved public services. One public service of particular interest is the provision of local public schools. Not only do public schools bulk large in the local property tax bill, but the inherent difficulty in measuring school quality has potentially undermined earlier attempts at achieving unbiased estimates of property tax capitalization. This particular problem has been of special concern since Oates' (1969) seminal paper. We sidestep the problem of omitted or misspecified measures of school quality by focusing on a segment of the housing market that likely places little-to-no value on school quality: small homes. Because few households residing in small homes have public school children, we anticipate that variations in their value do not account for differentials in public school quality. Using restricted-access microdata provided by the U.S. Census, and a quasi-experimental identification strategy, we estimate that local property taxes are nearly fully capitalized into the prices of small homes.
A Statistical Framework to Predict Functional Non-Coding Regions in the Human Genome Through Integrated Analysis of Annotation Data

Identifying functional regions in the human genome is a major goal in human genetics. Great efforts have been made to functionally annotate the human genome either through computational predictions, such as genomic conservation, or high-throughput experiments, such as the ENCODE project. These efforts have resulted in a rich collection of functional annotation data of diverse types that need to be jointly analyzed for integrated interpretation and annotation. Here we present GenoCanyon, a whole-genome annotation method that performs unsupervised statistical learning using 22 computational and experimental annotations thereby inferring the functional potential of each position in the human genome. With GenoCanyon, we are able to predict many of the known functional regions. The ability of predicting functional regions as well as its generalizable statistical framework makes GenoCanyon a unique and powerful tool for whole-genome annotation. The GenoCanyon web server is available at http://genocanyon.med.yale.edu
Analysis of Three Pasture Systems for Grass-fed Beef Production: Labor Use and Profitability

Three Louisiana grass-fed beef production pasture systems were evaluated for labor use and profitability for four consecutive years from 2009/10 to 2012/13. Despite requiring greater labor, System 1, which included the lowest number of different forage species, yielded higher profit than System 3, which included the highest number of forage species.
Thermodynamic Stability of Actinide Pyrochlore Minerals in Deep Geologic Repository Environments

Crystalline phases of pyrochlore (e.g., CaPuTi{sub 2}O{sub 7}, CaUTi{sub 2}O{sub 7}) have been proposed as a durable ceramic waste form for disposal of high level radioactive wastes including surplus weapons-usable plutonium. In this paper, the authors use a linear free energy relationship to predict the Gibbs free energies of formation of pyrochlore phases (CaMTi{sub 2}O{sub 7}). The Pu-pyrochlore phase is predicted to be stable with respect to PuO{sub 2}, CaTiO{sub 3}, and TiO{sub 2} at room temperatures. Pu-pyrochlore is expected to be stable in a geologic repository where silica and carbonate components are absent or limited. The authors suggest that a repository in a salt formation be an ideal environment for disposal of high level, pyrochlore-based ceramic wastes. In such environment, adding CaO as a backfill will make pyrochlore minerals thermodynamically stable and therefore effectively prevent actinide release from these mineral phases.
Recovering vector displacement estimates in quasistatic elastography using sparse relaxation of the momentum equation

We consider the problem of estimating the 2D vector displacement field in a heterogeneous elastic solid deforming under plane stress conditions. The problem is motivated by applications in quasistatic elastography. From precise and accurate measurements of one component of the 2D vector displacement field and very limited information of the second component, the method reconstructs the second component quite accurately. No a priori knowledge of the heterogeneous distribution of material properties is required. This method relies on using a special form of the momentum equations to filter ultrasound displacement measurements to produce more precise estimates. We verify the method with applications to simulated displacement data. We validate the method with applications to displacement data measured from a tissue mimicking phantom, and in-vivo data; significant improvements are noticed in the filtered displacements recovered from all the tests. In verification studies, error in lateral displacement estimates decreased from about 50% to about 2%, and strain error decreased from more than 250% to below 2%.
Cascade Mn‐Mediated γ‐Alkylation/oxa‐Michael Addition of Enones with 1,3‐Dicarbonyls

A radical-based strategy for regioselective γ-C-C bond formation/oxa-conjugate addition, forming the tetrahydrobenzofuran core common to many bioactive natural products is described. The technique utilizes readily available enone derivatives and 1,3-dicarbonyl compounds as coupling partners in an oxidative formal [3+2] cycloaddition mediated by Mn(III) . The transformation delivers polycyclic products in good yields and proceeds with complete regiocontrol and excellent stereoselectivity. Sterically encumbered substrates are notably well-tolerated and bond formation occurs readily to form neopentyl and all-carbon quaternary centers in good yields. Several stereo- and chemoselective transformations of the products are described.
California Vehicle Inventory and Use Survey: Pilot Study Insights:

With the discontinuation of the national Vehicle Inventory and Use Survey (VIUS) in the United States in 2002, insufficient data have been available for well more than a decade on commercial vehicle activity. The goal of this pilot survey effort was to develop a preliminary design for a proposed California Vehicle Inventory and Use Survey (Cal-VIUS) and to test it with a scaled-down sample to provide guidance on the full-scale survey design. The sample was drawn from vehicle records obtained from the California Department of Motor Vehicles and International Registration Plan data sets by using a stratified sampling technique to capture intrastate and Interstate commercial vehicle activity in California. Limitations identified in the 2002 VIUS were addressed in the Cal-VIUS pilot survey questionnaire, which was administered on an online survey platform (http://surveyanalytics.com). The questionnaire was designed to collect annual and trip-based activity data through two complementary surveys: a web-based f...
Speedy versus greedy search

When an optimal solution is not required, satisficing search methods such as greedy best-first search are often used to find solutions quickly. In work on satisficing search, there has been substantial attention devoted to how to solve problems associated with local minima or plateaus in the heuristic function. One technique that has been shown to be quite promising is using an alternative heuristic function that does not estimate cost-to-go, but rather estimates distance-to-go. There is currently little beyond intuition to explain its superiority. We begin by empirically showing that the success of the distance-to-go heuristic appears related to its having smaller local minima. We then discuss a reasonable theoretical model of heuristics and show that, under this model, the expected size of local minima is higher for a cost-to-go heuristic than a distance-to-go heuristic, offering a possible explanation as to why distance-to-go heuristics tend to outperform cost-to-go heuristics.
Dielectric constant of water in the interface

We define the dielectric constant (susceptibility) that should enter the Maxwell boundary value problem when applied to microscopic dielectric interfaces polarized by external fields. The dielectric constant (susceptibility) of the interface is defined by exact linear-response equations involving correlations of statistically fluctuating interface polarization and the Coulomb interaction energy of external charges with the dielectric. The theory is applied to the interface between water and spherical solutes of altering size studied by molecular dynamics (MD) simulations. The effective dielectric constant of interfacial water is found to be significantly lower than its bulk value, and it also depends on the solute size. For TIP3P water used in MD simulations, the interface dielectric constant changes from 9 to 4 when the solute radius is increased from ∼5 to 18 A.
Transductions to generate plant form and pattern: an essay on cause and effect.

Many complex processes can be broken into transduction steps where one state is converted to another by a well defined activity. One difficulty for analysis is that transductions occur in chains or networks. Another. of primary concern here, is that a single transduction can be complex. Some such transductions can efficiently explain phenomena often thought to he summations or orchestrations of many simple transductions. Pattern formation is in this category. For a wide range of transductions one can define cause and effect in a differential equation. In its integral one can define the before and after states. The main experimental tactic to characterize unknown transductions is co-variation. The before state (input) is altered, change in the after state (output) is assayed. Thus an unknown transduction, with cause and effect embodied in the differential, is investigated through long-term changes in its integral. This is fully practical when all of the integral is known or readily surmised, as in simple discrete biochemical transductions. As causal differential expressions become complex, their integrals become more versatile in generating output because this changes not only with variation in the expression itself but also with boundary conditions and limits. These very features, however, make such a function increasingly intractable to discovery by co-variation Only a small part of the integral is embodied in the before and after states; the remainder is not readily surmised. Accordingly, in contrast to reliance on the role of controls to deduce unknown simple transductions, the complex ones are generally established through formalization of the differential nature of the process itself.
Auxiliary-field quantum Monte Carlo calculations of the molybdenum dimer.

Chemical accuracy is difficult to achieve for systems with transition metal atoms. Third row transition metal atoms are particularly challenging due to strong electron-electron correlation in localized d-orbitals. The Cr2 molecule is an outstanding example, which we previously treated with highly accurate auxiliary-field quantum Monte Carlo (AFQMC) calculations [W. Purwanto et al., J. Chem. Phys. 142, 064302 (2015)]. Somewhat surprisingly, computational description of the isoelectronic Mo2 dimer has also, to date, been scattered and less than satisfactory. We present high-level theoretical benchmarks of the Mo2 singlet ground state (X1Σg+) and first triplet excited state (a3Σu+), using the phaseless AFQMC calculations. Extrapolation to the complete basis set limit is performed. Excellent agreement with experimental spectroscopic constants is obtained. We also present a comparison of the correlation effects in Cr2 and Mo2.
Internal Audit Outsourcing and the Risk of Misleading or Fraudulent Financial Reporting: Did Sarbanes-Oxley Get It Wrong?†

The Sarbanes-Oxley Act (SOX) prohibits companies from outsourcing internal audit work to their external audit provider. Competing predictions on the effects of this prohibition stem from two academic arguments relating to the provision of nonaudit services by the external auditor: knowledge spillover and economic bonding. Using proprietary data, we investigate whether companies that outsourced internal audit work to their external auditor pre-SOX had a higher risk of misleading or fraudulent external financial reporting (accounting risk). Consistent with the knowledge spillover argument, our results indicate that prior to SOX, outsourcing internal audit work to the external auditor is associated with lower accounting risk as compared to keeping the internal audit function (IAF) entirely in-house or outsourcing the work of the IAF to a third party other than the external auditor. The magnitude of the relation is significant, as outsourcing to the external auditor is associated with a 23 percent reduction in accounting risk relative to firms that kept the IAF in-house.
Interfacial Diffusion Studies of Hf and Zr into Si from Thermally Annealed Hf and Zr Silicates

Hf and Zr incorporation from thermally annealed high-κ gate dielectric thin films (4-5 nm) candidates HfSixOy and ZrSixOy into Si are presented. The dielectric films were subjected either to rapid thermal annealing (RTA) or standard furnace annealing in an N2 atmosphere. After annealing, the films were removed by chemical etching prior to depth profiling using both time of flight secondary ion mass spectroscopy (ToF-SIMS), and Heavy Ion Rutherford Backscattering Spectrometry (HI-RBS) combined with UV-ozone oxidation/etching cycles. As-deposited and annealed films were studied using monochromatic X-ray Photoelectron Spectroscopy (XPS), and high resolution TEM. A Zr incorporation depth after annealing of up to 20 nm into the Si substrate was observed. Depth profiling shows that, although most of the remnant Zr after annealing/etching is located at or near the surface of the Si substrate, incorporation into the substrate is also present. No significant Hf diffusion into Si was observed for either RTP or furnace-annealed films
Non-Contact Real-Time Evaluation of Polyimide Thin Film Thermoelastic Properties Through Impulsive Stimulated Thermal Scattering

We demonstrate a new purely optical based method for the excitation and detection of acoustic and thermal disturbances in thin films. This technique is applied to the determination of the viscoelastic properties of unsupported and silicon supported polyimide thin (~1 micron) films. We show how this technique can be used to detect film delaminations and suggest how it may be used to probe film-substrate adhesion quality.
Finite Element Modal Formulation for Hypersonic Panel Flutter Analysis with Thermal Effects

A finite element time-domain modal formulation for analyzing nonlinear flutter of panels subjected to hypersonic airflow has been developed. Von Karman large deflection plate theory is used for description of the structural nonlinearity, and third-order piston theory is employed to consider the aerodynamic nonlinearity. The thermal loadings of uniformly distributed surface temperatures and temperature gradients through the panel thickness are considered. By the application of the modal truncation technique, the number of governing equations of motion is reduced dramatically so that the computational costs are reduced significantly. All possible types of panel behavior, including flat and stable, buckled but dynamically stable, limit cycle oscillation (LCO), periodic motion, and chaotic motion were observed. Examples of the applications of the proposed methodology were flutter responses of isotropic and composite panels. Special emphasis was placed on the boundary between LCO and chaos and on the route to chaos. Time history, phase plane plot, Poincare map, bifurcation diagram, and Lyapunov exponent are employed in the chaos study. It is found that at low or moderately high dynamic pressures, the fluttering panel typically takes a period-doubling route to evolve into chaos, whereas, at high dynamic pressures, the route generally involves bursts of chaos and rejuvenations of periodic motions.
Design and Synthesis of Heterocyclic Cations for Specific DNA Recognition: From AT-Rich to Mixed-Base-Pair DNA Sequences

The compounds synthesized in this research were designed with the goal of establishing a new paradigm for mixed-base-pair DNA sequence-specific recognition. The design scheme starts with a cell-permeable heterocyclic cation that binds to AT base pair sites in the DNA minor groove. Modifications were introduced in the original compound to include an H-bond accepting group to specifically recognize the G-NH that projects into the minor groove. Therefore, a series of heterocyclic cations substituted with an azabenzimidazole ring has been designed and synthesized for mixed-base-pair DNA recognition. The most successful compound, 12a, had an azabenzimidazole to recognize G and additional modifications for general minor groove interactions. It binds to the DNA site −AAAGTTT– more strongly than the −AAATTT– site without GC and indicates the design success. Structural modifications of 12a generally weakened binding. The interactions of the new compound with a variety of DNA sequences with and without GC base pair...
Intramolecular Alkene Carboamination Reactions for the Synthesis of Enantiomerically Enriched Tropane Derivatives

The synthesis of tropane derivatives via intramolecular Pd-catalyzed alkene difunctionalization reactions is described. Enantiopure N-aryl-γ-aminoalkenes bearing an aryl or alkenyl halide adjacent to the amino group were converted to benzo- or cycloalkenyl-fused tropane products in good yield and with no loss of enantiopurity.
Facile synthesis of silver chalcogenide (Ag2E; E=Se, S, Te) semiconductor nanocrystals.

A general, one-pot, single-step method for producing colloidal silver chalcogenide (Ag2E; E = Se, S, Te) nanocrystals is presented, with an emphasis on Ag2Se. The method avoids exotic chemicals, high temperatures, and high pressures and requires only a few minutes of reaction time. While Ag2S and Ag2Te are formed in their low-temperature monoclinic phases, Ag2Se is obtained in a metastable tetragonal phase not observed in the bulk.
Gallium(III)-Promoted Halocyclizations of 1,6-Diynes

Cyclization of 1,6-diynes promoted by stoichiometric Ga(III) halides produces vinyl halides in good to excellent yields. Under acidic conditions, initially formed iodocyclization products undergo in situ Friedel–Crafts cyclizations, giving access to iodoindenopyridines. Application of the vinyl halides in cross-coupling reactions has been explored, and mechanistic aspects of the cyclization are discussed.
PT -breaking threshold in spatially asymmetric Aubry-André and Harper models: Hidden symmetry and topological states

Aubry-Andr\'e-Harper lattice models, characterized by a reflection-asymmetric sinusoidally varying nearest-neighbor tunneling profile, are well known for their topological properties. We consider the fate of such models in the presence of balanced gain and loss potentials $\ifmmode\pm\else\textpm\fi{}i\ensuremath{\gamma}$ located at reflection-symmetric sites. We predict that these models have a finite $\mathcal{PT}$-breaking threshold only for specific locations of the gain-loss potential and uncover a hidden symmetry that is instrumental to the finite threshold strength. We also show that the topological edge states remain robust in the $\mathcal{PT}$-symmetry-broken phase. Our predictions substantially broaden the possible experimental realizations of a $\mathcal{PT}$-symmetric system.
Electronic Health Record Availability and Anxiety Treatment in Office-Based Practices.

Objective:This study compared the probability of receiving anxiety treatment during a physician visit to primary care practices with and without an electronic health record (EHR).Methods:The 2007–2010 National Ambulatory Medical Care Survey was used to identify visits for anxiety (N=290). The outcome was receipt of anxiety treatment. The independent variable was the presence of a fully functioning EHR. Logistic regression was used to conduct the analysis.Results:Patients who were seen in practices with a fully functioning EHR had lower odds of being offered antianxiety medication (adjusted odds ratio [AOR]=.37, 95% confidence interval [CI]=.15–.90, p=.028), mental health counseling (AOR=.43, CI=.18–1.04, p=.061), and any anxiety treatment (AOR=.40, CI=.15–1.05, p=.062) compared with patients at practices without a fully functioning EHR.Conclusions:EHRs may have a negative impact on the delivery of care for anxiety during primary care visits. Future studies should monitor the impact of EHRs on delivery and...
Mechanism comparison and classification for design

When designing new devices, engineers seldomly start their design from scratch. Instead, they redesign or compose existing ones. Finding candidate devices based on their properties is thus an essential design subtask. To be effective, future intelligent computer-aided design (CAD) systems must be able to compare and evaluate existing devices. Due to the large number of known devices, such systems must create and maintain a devices' knowledge base, indexed by the properties of the devices.