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Facility Location Optimization Model for COVID-19 Resources

Klise, Katherine A.; Bynum, Michael L.

In response to anticipated resource shortfalls related to the treatment and testing of COVID-19, many communities are planning to build additional facilities to increase capacity. These facilities include field hospitals, testing centers, mobile manufacturing units, and distribution centers. In many cases, these facilities are intended to be temporary and are designed to meet an immediate need. When deciding where to place new facilities many factors need to be considered, including the feasibility of potential locations, existing resource availability, anticipated demand, and accessibility between patients and the new facility. In this project, a facility location optimization model was developed to integrate these key pieces of information to help decision makers identify the best place, or places, to build a facility to meet anticipated resource demands. The facility location optimization model uses the location of existing resources and the anticipated resource demand at each location to minimize the distance a patient must travel to get to the resource they need. The optimization formulation is presented below. The model was designed to operate at the county scale, where patients are grouped per county. This assumption can be modified to integrate other scales or include individual patients.

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A mathematical programming approach for the optimal placement of flame detectors in petrochemical facilities

Process Safety and Environmental Protection

Zhen, Todd; Klise, Katherine A.; Cunningham, Sean; Marszal, Edward; Laird, Carl D.

Flame detectors provide an important layer of protection for personnel in petrochemical plants, but effective placement can be challenging. A mixed-integer nonlinear programming formulation is proposed for optimal placement of flame detectors while considering non-uniform probabilities of detection failure. We show that this approach allows for the placement of fire detectors using a fixed sensor budget and outperforms models that do not account for imperfect detection. We develop a linear relaxation to the formulation and an efficient solution algorithm that achieves global optimality with reasonable computational effort. We integrate this problem formulation into the Python package, Chama, and demonstrate the effectiveness of this formulation on a small test case and on two real-world case studies using the fire and gas mapping software, Kenexis Effigy.

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Evaluation of chlorine booster station placement for water security

Computer Aided Chemical Engineering

Seth, Arpan; Hackebeil, Gaberiel A.; Haxton, Terranna; Murray, Regan; Laird, Carl D.; Klise, Katherine A.

Drinking water utilities use booster stations to maintain chlorine residuals throughout water distribution systems. Booster stations could also be used as part of an emergency response plan to minimize health risks in the event of an unintentional or malicious contamination incident. The benefit of booster stations for emergency response depends on several factors, including the reaction between chlorine and an unknown contaminant species, the fate and transport of the contaminant in the water distribution system, and the time delay between detection and initiation of boosted levels of chlorine. This paper takes these aspects into account and proposes a mixed-integer linear program formulation for optimizing the placement of booster stations for emergency response. A case study is used to explore the ability of optimally placed booster stations to reduce the impact of contamination in water distribution systems.

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Quantifying hydraulic and water quality uncertainty to inform sampling of drinking water distribution systems

Journal of Water Resources Planning and Management

Hart, David B.; Rodriguez, J.S.; Burkhardt, Jonathan; Borchers, Brian; Laird, Carl D.; Murray, Regan; Klise, Katherine A.; Haxton, Terranna

Sampling of drinking water distribution systems is performed to ensure good water quality and protect public health. Sampling also satisfies regulatory requirements and is done to respond to customer complaints or emergency situations. Water distribution system modeling techniques can be used to plan and inform sampling strategies. However, a high degree of accuracy and confidence in the hydraulic and water quality models is required to support real-time response. One source of error in these models is related to uncertainty in model input parameters. Effective characterization of these uncertainties and their effect on contaminant transport during a contamination incident is critical for providing confidence estimates in model-based design and evaluation of different sampling strategies. In this paper, the effects of uncertainty in customer demand, isolation valve status, bulk reaction rate coefficient, contaminant injection location, start time, duration, and rate on the size and location of the contaminant plume are quantified for two example water distribution systems. Results show that the most important parameter was the injection location. The size of the plume was also affected by the reaction rate coefficient, injection rate, and injection duration, whereas the exact location of the plume was additionally affected by the isolation valve status. Uncertainty quantification provides a more complete picture of how contaminants move within a water distribution system and more information when using modeling results to select sampling locations.

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Sensor Placement Optimization using Chama

Klise, Katherine A.; Laird, Carl D.; Nicholson, Bethany L.

Continuous or regularly scheduled monitoring has the potential to quickly identify changes in the environment. However, even with low - cost sensors, only a limited number of sensors can be deployed. The physical placement of these sensors, along with the sensor technology and operating conditions, can have a large impact on the performance of a monitoring strategy. Chama is an open source Python package which includes mixed - integer, stochastic programming formulations to determine sensor locations and technology that maximize monitoring effectiveness. The methods in Chama are general and can be applied to a wide range of applications. Chama is currently being used to design sensor networks to monitor airborne pollutants and to monitor water quality in water distribution systems. The following documentation includes installation instructions and examples, description of software features, and software license. The software is intended to be used by regulatory agencies, industry, and the research community. It is assumed that the reader is familiar with the Python Programming Language. References are included for addit ional background on software components. Online documentation, hosted at http://chama.readthedocs.io/, will be updated as new features are added. The online version includes API documentation .

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Water Network Tool for Resilience (WNTR) User Manual

Klise, Katherine A.; Hart, David B.; Moriarty, Dylan; Bynum, Michael L.; Murray, Regan M.; Burkhardt, Jonathan B.; Haxton, Terra H.

Drinking water systems face multiple challenges, including aging infrastructure, water quality concerns, uncertainty in supply and demand, natural disasters, environmental emergencies, and cyber and terrorist attacks. All of these have the potential to disrupt a large portion of a water system causing damage to infrastructure and outages to customers. Increasing resilience to these types of hazards is essential to improving water security. As one of the United States (US) sixteen critical infrastructure sectors, drinking water is a national priority. The National Infrastructure Advisory Council defined infrastructure resilience as “the ability to reduce the magnitude and/or duration of disruptive events. The effectiveness of a resilient infrastructure or enterprise depends upon its ability to anticipate, absorb, adapt to, and/or rapidly recover from a potentially disruptive event”. Being able to predict how drinking water systems will perform during disruptive incidents and understanding how to best absorb, recover from, and more successfully adapt to such incidents can help enhance resilience.

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A software framework for assessing the resilience of drinking water systems to disasters with an example earthquake case study

Environmental Modelling and Software

Klise, Katherine A.; Bynum, Michael L.; Moriarty, Dylan; Murray, Regan

Water utilities are vulnerable to a wide variety of human-caused and natural disasters. The Water Network Tool for Resilience (WNTR) is a new open source Python™ package designed to help water utilities investigate resilience of water distribution systems to hazards and evaluate resilience-enhancing actions. In this paper, the WNTR modeling framework is presented and a case study is described that uses WNTR to simulate the effects of an earthquake on a water distribution system. The case study illustrates that the severity of damage is not only a function of system integrity and earthquake magnitude, but also of the available resources and repair strategies used to return the system to normal operating conditions. While earthquakes are particularly concerning since buried water distribution pipelines are highly susceptible to damage, the software framework can be applied to other types of hazards, including power outages and contamination incidents.

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Testing contamination source identification methods for water distribution networks

Journal of Water Resources Planning and Management

Seth, Arpan; Klise, Katherine A.; Siirola, John D.; Haxton, Terranna; Laird, Carl D.

In the event of contamination in a water distribution network (WDN), source identification (SI) methods that analyze sensor data can be used to identify the source location(s). Knowledge of the source location and characteristics are important to inform contamination control and cleanup operations. Various SI strategies that have been developed by researchers differ in their underlying assumptions and solution techniques. The following manuscript presents a systematic procedure for testing and evaluating SI methods. The performance of these SI methods is affected by various factors including the size of WDN model, measurement error, modeling error, time and number of contaminant injections, and time and number of measurements. This paper includes test cases that vary these factors and evaluates three SI methods on the basis of accuracy and specificity. The tests are used to review and compare these different SI methods, highlighting their strengths in handling various identification scenarios. These SI methods and a testing framework that includes the test cases and analysis tools presented in this paper have been integrated into EPA's Water Security Toolkit (WST), a suite of software tools to help researchers and others in the water industry evaluate and plan various response strategies in case of a contamination incident. Finally, a set of recommendations are made for users to consider when working with different categories of SI methods.

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Water Security Toolkit User Manual Version 1.2

Klise, Katherine A.; Siirola, John D.; Hart, David B.; Hart, William E.; Phillips, Cynthia A.; Haxton, Terranna H.; Murray, Regan M.; Janke, Robert J.; Taxon, Thomas T.; Laird, Carl L.; Seth, Arpan S.; Hackebeil, Gabriel H.; McGee, Shawn M.; Mann, Angelica M.

The Water Security Toolkit (WST) is a suite of open source software tools that can be used by water utilities to create response strategies to reduce the impact of contamination in a water distribution network . WST includes hydraulic and water quality modeling software , optimizati on methodologies , and visualization tools to identify: (1) sensor locations to detect contamination, (2) locations in the network in which the contamination was introduced, (3) hydrants to remove contaminated water from the distribution system, (4) locations in the network to inject decontamination agents to inactivate, remove, or destroy contaminants, (5) locations in the network to take grab sample s to help identify the source of contamination and (6) valves to close in order to isolate contaminate d areas of the network. This user manual describes the different components of WST , along w ith examples and case studies. License Notice The Water Security Toolkit (WST) v.1.2 Copyright c 2012 Sandia Corporation. Under the terms of Contract DE-AC04-94AL85000, there is a non-exclusive license for use of this work by or on behalf of the U.S. government. This software is distributed under the Revised BSD License (see below). In addition, WST leverages a variety of third-party software packages, which have separate licensing policies: Acro Revised BSD License argparse Python Software Foundation License Boost Boost Software License Coopr Revised BSD License Coverage BSD License Distribute Python Software Foundation License / Zope Public License EPANET Public Domain EPANET-ERD Revised BSD License EPANET-MSX GNU Lesser General Public License (LGPL) v.3 gcovr Revised BSD License GRASP AT&T Commercial License for noncommercial use; includes randomsample and sideconstraints executable files LZMA SDK Public Domain nose GNU Lesser General Public License (LGPL) v.2.1 ordereddict MIT License pip MIT License PLY BSD License PyEPANET Revised BSD License Pyro MIT License PyUtilib Revised BSD License PyYAML MIT License runpy2 Python Software Foundation License setuptools Python Software Foundation License / Zope Public License six MIT License TinyXML zlib License unittest2 BSD License Utilib Revised BSD License virtualenv MIT License Vol Common Public License vpykit Revised BSD License Additionally, some precompiled WST binary distributions might bundle other third-party executables files: Coliny Revised BSD License (part of Acro project) Dakota GNU Lesser General Public License (LGPL) v.2.1 PICO Revised BSD License (part of Acro project) i Revised BSD License Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of Sandia National Laboratories nor Sandia Corporation nor the names of its con- tributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IM- PLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUD- ING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ii Acknowledgements This work was supported by the U.S. Environmental Protection Agency through its Office of Research and Development (Interagency Agreement # DW8992192801). The material in this document has been subject to technical and policy review by the U.S. EPA, and approved for publication. The views expressed by individual authors, however, are their own, and do not necessarily reflect those of the U.S. Environmental Protection Agency. Mention of trade names, products, or services does not convey official U.S. EPA approval, endorsement, or recommendation. The Water Security Toolkit is an extension of the Threat Ensemble Vulnerability Assessment-Sensor Place- ment Optimization Tool (TEVA-SPOT), which was also developed with funding from the U.S. Environ- mental Protection Agency through its Office of Research and Development (Interagency Agreement # DW8992192801). The authors acknowledge the following individuals for their contributions to the devel- opment of TEVA-SPOT: Jonathan Berry (Sandia National Laboratories), Erik Boman (Sandia National Laboratories), Lee Ann Riesen (Sandia National Laboratories), James Uber (University of Cincinnati), and Jean-Paul Watson (Sandia National Laboratories). iii Acronyms ATUS American Time-Use Survey BLAS Basic linear algebra sub-routines CFU Colony-forming unit CVAR Conditional value at risk CWS Contamination warning system EA Evolutionary algorithm EDS Event detection system EPA U.S. Environmental Protection Agency EC Extent of Contamination ERD EPANET results database file GLPK GNU Linear Programming Kit GRASP Greedy randomized adaptive sampling process HEX Hexadecimal HTML HyperText markup language INP EPANET input file LP Linear program MC Mass consumed MILP Mixed integer linear program MIP Mixed integer program MSX Multi-species extension for EPANET NFD Number of failed detections NS Number of sensors NZD Non-zero demand PD Population dosed PE Population exposed PK Population killed TAI Threat assessment input file TCE Tailed-conditioned expectation TD Time to detection TEC Timed extent of contamination TEVA Threat ensemble vulnerability assessment TSB Tryptic soy broth TSG Threat scenario generation file TSI Threat simulation input file VAR Value at risk VC Volume consumed WST Water Security Toolkit YML YAML configuration file format for WST iv Symbols Notation Definition Example { , } set brackets { 1,2,3 } means a set containing the values 1,2, and 3. [?] is an element of s [?] S means that s is an element of the set S . [?] for all s = 1 [?] s [?] S means that the statement s = 1 is true for all s in set S . P summation P n i =1 s i means s 1 + s 2 + * * * + s n . \ set minus S \ T means the set that contains all those elements of S that are not in set T . %7C given %7C is used to define conditional probability. P ( s %7C t ) means the prob- ability of s occurring given that t occurs. %7C ... %7C cardinality Cardinality of a set is the number of elements of the set. If set S = { 2,4,6 } , then %7C S %7C = 3. v

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A Stochastic Programming Formulation for Disinfectant Booster Station Placement to Protect Large-Scale Water Distribution Systems

Computer Aided Chemical Engineering

Hackebeil, Gabriel A.; Mann, Angelica V.; Hart, William E.; Klise, Katherine A.; Laird, Carl D.

We present a methodology for optimally locating disinfectant booster stations for response to contamination events in water distribution systems. A stochastic programming problem considering uncertainty in both the location and time of the contamination event is formulated resulting in an extensive form that is equivalent to the weighted maximum coverage problem. Although the original full-space problem is intractably large, we show a series of reductions that reduce the size of the problem by five orders of magnitude and allow solutions of the optimal placement problem for realistically sized water network models. © 2012 Elsevier B.V.

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Bayesian data assimilation for stochastic multiscale models of transport in porous media

Lefantzi, Sophia L.; Klise, Katherine A.; Salazar, Luke S.; Mckenna, Sean A.; van Bloemen Waanders, Bart G.; Ray, Jaideep R.

We investigate Bayesian techniques that can be used to reconstruct field variables from partial observations. In particular, we target fields that exhibit spatial structures with a large spectrum of lengthscales. Contemporary methods typically describe the field on a grid and estimate structures which can be resolved by it. In contrast, we address the reconstruction of grid-resolved structures as well as estimation of statistical summaries of subgrid structures, which are smaller than the grid resolution. We perform this in two different ways (a) via a physical (phenomenological), parameterized subgrid model that summarizes the impact of the unresolved scales at the coarse level and (b) via multiscale finite elements, where specially designed prolongation and restriction operators establish the interscale link between the same problem defined on a coarse and fine mesh. The estimation problem is posed as a Bayesian inverse problem. Dimensionality reduction is performed by projecting the field to be inferred on a suitable orthogonal basis set, viz. the Karhunen-Loeve expansion of a multiGaussian. We first demonstrate our techniques on the reconstruction of a binary medium consisting of a matrix with embedded inclusions, which are too small to be grid-resolved. The reconstruction is performed using an adaptive Markov chain Monte Carlo method. We find that the posterior distributions of the inferred parameters are approximately Gaussian. We exploit this finding to reconstruct a permeability field with long, but narrow embedded fractures (which are too fine to be grid-resolved) using scalable ensemble Kalman filters; this also allows us to address larger grids. Ensemble Kalman filtering is then used to estimate the values of hydraulic conductivity and specific yield in a model of the High Plains Aquifer in Kansas. Strong conditioning of the spatial structure of the parameters and the non-linear aspects of the water table aquifer create difficulty for the ensemble Kalman filter. We conclude with a demonstration of the use of multiscale stochastic finite elements to reconstruct permeability fields. This method, though computationally intensive, is general and can be used for multiscale inference in cases where a subgrid model cannot be constructed.

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Computational thermal, chemical, fluid, and solid mechanics for geosystems management

Martinez, Mario J.; Red-Horse, John R.; Carnes, Brian C.; Mesh, Mikhail M.; Field, Richard V.; Davison, Scott M.; Yoon, Hongkyu Y.; Bishop, Joseph E.; Newell, Pania N.; Notz, Patrick N.; Turner, Daniel Z.; Subia, Samuel R.; Hopkins, Polly L.; Moffat, Harry K.; Jove Colon, Carlos F.; Dewers, Thomas D.; Klise, Katherine A.

This document summarizes research performed under the SNL LDRD entitled - Computational Mechanics for Geosystems Management to Support the Energy and Natural Resources Mission. The main accomplishment was development of a foundational SNL capability for computational thermal, chemical, fluid, and solid mechanics analysis of geosystems. The code was developed within the SNL Sierra software system. This report summarizes the capabilities of the simulation code and the supporting research and development conducted under this LDRD. The main goal of this project was the development of a foundational capability for coupled thermal, hydrological, mechanical, chemical (THMC) simulation of heterogeneous geosystems utilizing massively parallel processing. To solve these complex issues, this project integrated research in numerical mathematics and algorithms for chemically reactive multiphase systems with computer science research in adaptive coupled solution control and framework architecture. This report summarizes and demonstrates the capabilities that were developed together with the supporting research underlying the models. Key accomplishments are: (1) General capability for modeling nonisothermal, multiphase, multicomponent flow in heterogeneous porous geologic materials; (2) General capability to model multiphase reactive transport of species in heterogeneous porous media; (3) Constitutive models for describing real, general geomaterials under multiphase conditions utilizing laboratory data; (4) General capability to couple nonisothermal reactive flow with geomechanics (THMC); (5) Phase behavior thermodynamics for the CO2-H2O-NaCl system. General implementation enables modeling of other fluid mixtures. Adaptive look-up tables enable thermodynamic capability to other simulators; (6) Capability for statistical modeling of heterogeneity in geologic materials; and (7) Simulator utilizes unstructured grids on parallel processing computers.

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38 Results
38 Results